Structure & Deep Data of Cyclobenzaprine N-Oxide (C20H21NO)

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Cyclobenzaprine N-Oxide molecule contains a total of 45 bond(s). There are 24 non-H bond(s), 14 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 seven-membered ring(s), 2 eleven-membered ring(s), 1 positively charged N, and 1 quaternary N. Images of the chemical structure of Cyclobenzaprine N-Oxide are given below:

The 2D chemical structure image of Cyclobenzaprine N-Oxide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Cyclobenzaprine N-Oxide 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 Cyclobenzaprine N-Oxide 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 Cyclobenzaprine N-Oxide. Download structure data file (SDF/MOL) file of this compound.

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Additional Information for Identifying Cyclobenzaprine N-Oxide Molecule

• SMILES (Simplified Molecular-Input Line-Entry System) string of Cyclobenzaprine N-Oxide

  The SMILES string of Cyclobenzaprine N-Oxide is C[N+](C)([O-])CCC=C2c1ccccc1C=Cc3ccccc23, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Cyclobenzaprine N-Oxide.

• Structure Data File (SDF/MOL File) of Cyclobenzaprine N-Oxide

  The structure data file (SDF/MOL File) of Cyclobenzaprine N-Oxide is available for download in the SDF page of Cyclobenzaprine N-Oxide, which provides the information about the atoms, bonds, connectivity and coordinates of Cyclobenzaprine N-Oxide. The Cyclobenzaprine N-Oxide structure data file can be imported to most of the cheminformatics software systems and applications.

• Chemical formula of Cyclobenzaprine N-Oxide

  The molecular formula of Cyclobenzaprine N-Oxide is available in chemical formula page of Cyclobenzaprine N-Oxide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

• Molecular weight of Cyclobenzaprine N-Oxide

  The molecular weight of Cyclobenzaprine N-Oxide is available in molecular weight page of Cyclobenzaprine N-Oxide, 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 Cyclobenzaprine N-Oxide

  The Cyclobenzaprine N-Oxide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Cyclobenzaprine N-Oxide including the various registry numbers, if available:

  • N,N-DIMETHYL-3-{TRICYCLO[9.4.0.0(3),?]PENTADECA-1(15),3,5,7,9,11,13-HEPTAEN-2-YLIDENE}PROPANAMINE OXIDE
  • 3-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine N-Oxide
  • 1-Propanamine, 3-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-, N-oxide
  • N,N-Dimethyl-5H-dibenzo(a,d)cycloheptene-delta 5,alpha-propylamine N-oxide
  • 6682-26-4
  • Cyclobenzaprine N-Oxide

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Cyclobenzaprine N-Oxide Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Cyclobenzaprine N-Oxide?
C20H21NO
How many atoms and what are the elements included the Cyclobenzaprine N-Oxide molecule?
43 atom(s) - 21 Hydrogen atom(s), 20 Carbon atom(s), 1 Nitrogen atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the Cyclobenzaprine N-Oxide structure?
45 bond(s) - 24 non-H bond(s), 14 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), 12 aromatic bond(s), 2 six-membered ring(s), 1 seven-membered ring(s), 2 eleven-membered ring(s), 1 positively charged N, and 1 quaternary N
What’s the Cyclobenzaprine N-Oxide’s molecular weight?
291.38684 g/mol
What’s the SMILES code of Cyclobenzaprine N-Oxide?
C[N+](C)([O-])CCC=C2c1ccccc1C=Cc3ccccc23
What’s the InChI string of Cyclobenzaprine N-Oxide?
InChI=1S/C20H21NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-14H,7,15H2,1-2H3
What’s the InChIKey code of Cyclobenzaprine N-Oxide?
CWVULMRJHWMZLY-UHFFFAOYSA-N

11 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).