Compound Identification
SMILES
ClC1=CC=CC(CN2C[C@H](CC3=CC=CC=C3C2)NCC2=CN=CN2CC2=CC=C(C=C2)C#N)=C1
InChIKey
InChIKey=PSHFSQXXLIHYAT-NDEPHWFRSA-N
Formula
C29H28ClN5
Mass
482.03
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
Phenylmethylamines Benzylamines Benzonitriles Chlorobenzenes Azepines Aralkylamines N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Trialkylamines Nitriles Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Benzonitrile - Phenylmethylamine - Benzylamine - Azepine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Tertiary aliphatic amine - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Nitrile - Carbonitrile - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - 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