Structure Information
Structure

Compound Identification

SMILES

Cl.Cl.FC1=CC=C(C=C1)C1CCCN(CCN2CCN(CCOC(=O)C3=CC=CC=C3Cl)CC2)C2=C1C=CC(F)=C2

InChIKey

InChIKey=HEFZVTGJLHYMIE-UHFFFAOYSA-N

Formula

C31H36Cl3F2N3O2

Mass

626.99

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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

Aromatic heteropolycyclic compounds

Substituents

Benzazepine - Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Azepine - Chlorobenzene - Aralkylamine - Fluorobenzene - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Vinylogous halide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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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