Structure & Deep Data of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone (C19H20Cl2N2O)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone molecule contains a total of 46 bond(s). There are 26 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ketone(s) (aromatic), and 2 tertiary amine(s) (aliphatic). Images of the chemical structure of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone are given below:

The 2D chemical structure image of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone

  The SMILES string of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone is CN1CCN(CC1)Cc2ccc(cc2)C(=O)c3cc(Cl)cc(Cl)c3, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone.

• Structure Data File (SDF/MOL File) of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone

  The structure data file (SDF/MOL File) of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone is available for download in the SDF page of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone, which provides the information about the atoms, bonds, connectivity and coordinates of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone. The 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone

  The molecular formula of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone is available in chemical formula page of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone

  The molecular weight of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone is available in molecular weight page of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

• Other names (synonyms) or registry numbers of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone

  The 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone including the various registry numbers, if available:

  • (3,5-Dichlorophenyl){4-[(4-methylpiperazin-1-yl)methyl]phenyl}methanone
  • 3,5-dichloro-4'-(4-methylpiperazinomethyl)benzophenone
  • 3,5-DICHLORO-4'- BENZOPHENONE
  • MFCD03841822
  • 3,5-DICHLORO-4'-(4-METHYLPIPERAZIN-1-YLMETHYL)BENZOPHENONE
  • 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone
  • 898763-30-9

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3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone?
C19H20Cl2N2O
How many atoms and what are the elements included the 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone molecule?
44 atom(s) - 20 Hydrogen atom(s), 19 Carbon atom(s), 2 Nitrogen atom(s), 1 Oxygen atom(s), and 2 Chlorine atom(s)
How many chemical bonds and what kind of bonds are included the 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone structure?
46 bond(s) - 26 non-H bond(s), 13 multiple bond(s), 4 rotatable bond(s), 1 double bond(s), 12 aromatic bond(s), 3 six-membered ring(s), 1 ketone(s) (aromatic), and 2 tertiary amine(s) (aliphatic)
What’s the 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone’s molecular weight?
363.2809 g/mol
What’s the SMILES code of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone?
CN1CCN(CC1)Cc2ccc(cc2)C(=O)c3cc(Cl)cc(Cl)c3
What’s the InChI string of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone?
InChI=1S/C19H20Cl2N2O/c1-22-6-8-23(9-7-22)13-14-2-4-15(5-3-14)19(24)16-10-17(20)12-18(21)11-16/h2-5,10-12H,6-9,13H2,1H3
What’s the InChIKey code of 3,5-dichloro-4'-(4-methylpiperazinomethyl) benzophenone?
MZSJTZAGIVVAOO-UHFFFAOYSA-N

25 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).