Compound Identification
SMILES
OC(=O)CCC(O)=O.FC(F)(F)C1=NN(C(=C1)C1=CC=CS1)C1=C(Cl)C=CC2=C1CCNCC2
InChIKey
InChIKey=LIGJAXKVGXZFAV-UHFFFAOYSA-N
Formula
C22H21ClF3N3O4S
Mass
515.93
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
Aralkylamines Azepines Aryl chlorides Benzenoids Dicarboxylic acids and derivatives Fatty acids and conjugates Heteroaromatic compounds Thiophenes Pyrazoles Azacyclic compounds Dialkylamines Carboxylic acids Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Not available
Substituents
Benzazepine - Azepine - Aralkylamine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Fatty acid - Azole - Heteroaromatic compound - Pyrazole - Thiophene - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organooxygen compound - Alkyl halide - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen 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