Compound Identification
SMILES
FC1=CC2=C(C=C1)C(=O)N1C[C@H](CC[C@H]1CC2)C1=NC(=CS1)C1=NC=C(Br)C=N1
InChIKey
InChIKey=PDMDLRFJVROAAG-XJKSGUPXSA-N
Formula
C21H18BrFN4OS
Mass
473.36
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
2,4-disubstituted thiazoles Azepines Halopyrimidines Piperidines Aryl bromides Aryl fluorides Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - 2,4-disubstituted 1,3-thiazole - Azepine - Halopyrimidine - Aryl bromide - Aryl fluoride - Aryl halide - Piperidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Azole - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organobromide - Organic oxide - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen 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