Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)C2=C(C)N1

InChIKey

InChIKey=IGMQLRCTVRDORR-UHFFFAOYSA-N

Formula

C21H16ClFN2O2

Mass

382.82

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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 - Pyrrole-2-carboxylic acid or derivatives - Azepine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Ketimine - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Imine - Organofluoride - Organohalogen compound - Organochloride - 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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