Compound Identification
SMILES
O[C@@H]1CN2C[C@@H]1C(=CC2)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=ODLXGLBOIDVAQS-CHWSQXEVSA-N
Formula
C13H14ClNO
Mass
235.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Azepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azepines
Alternative Parents
Chlorobenzenes N-alkylpyrrolidines Aryl chlorides Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - 1,2-aminoalcohol - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors
Not available