Structure Information
Structure

Compound Identification

SMILES

NC(=O)C(F)(F)F.OS(=O)(=O)C1=CC=C(C=C1)C1CNCCC2=C(Br)C3=C(COO3)C=C12

InChIKey

InChIKey=QPLHEQIHIISABY-UHFFFAOYSA-N

Formula

C19H18BrF3N2O6S

Mass

539.32

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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 - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Azepine - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Secondary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Organosulfur compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organooxygen 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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