Compound Identification
SMILES
COC(=O)C1=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)C2=C(C)N1
InChIKey
InChIKey=IGMQLRCTVRDORR-UHFFFAOYSA-N
Formula
C21H16ClFN2O2
Mass
382.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzazepines
Alternative Parents
Pyrrole carboxylic acids and derivatives Azepines Fluorobenzenes Substituted pyrroles Aryl chlorides Aryl fluorides Heteroaromatic compounds Methyl esters Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Organochlorides Organofluorides Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Pyrrole-2-carboxylic acid or derivatives - Azepine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Ketimine - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Imine - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
External Descriptors
Not available