Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)[C@@H]1CC2=C(C=CC=C2N(CCNCCCNC(=O)CCC2=CC=C3CC4C(C)=CC(C)=[N+]4[B-](F)(F)N23)C(=O)[C@@H]1O)C(F)(F)F

InChIKey

InChIKey=BYBTVZWJJXMRGO-QPBWEPDASA-N

Formula

C37H43BF5N5O4

Mass

727.58

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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 - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Azepine - Fatty amide - Substituted pyrrole - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Amino acid or derivatives - Carboxamide group - Ether - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic metalloid salt - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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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