Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzazepines

Alternative Parents

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

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