Compound Identification
SMILES
ClC1=CC=C(C=C1)C(C#N)[C@]12C[C@H](N(C1=S)C1=CC=CC=C1)C1=CC=CC=C1C2=O
InChIKey
InChIKey=DDZYRKHKVKHWHD-IJYFBAFXSA-N
Formula
C25H17ClN2OS
Mass
428.93
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
Phenylpyrrolidines Tetralins Aryl alkyl ketones Chlorobenzenes Azepines Aryl chlorides Thiolactams Pyrroles Nitriles Azacyclic compounds Thiocarbonyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - 1-phenylpyrrolidine - Tetralin - Aryl alkyl ketone - Aryl ketone - Azepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Pyrrole - Thiolactam - Ketone - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Cyanide - Organic oxygen compound - Organosulfur compound - Thiocarbonyl group - Hydrocarbon derivative - 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