Compound Identification
SMILES
CC(C)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C1=CC=C(Cl)C=C1)C(=O)CN1CCCC2=CC=CC=C2C1
InChIKey
InChIKey=MNUFWTOSLUTKAV-PKTNWEFCSA-N
Formula
C31H40ClN3O3
Mass
538.13
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
4-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Chlorobenzenes Azepines Aralkylamines Aryl chlorides Alpha-amino ketones Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Azepine - Aralkylamine - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Alpha-aminoketone - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Ketone - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - 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