Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C2C(=C1)N(CC1=CC=CC=C1)C(=O)CN=C2C1=CC=CC(=C1)C#N

InChIKey

InChIKey=BJQFMHKXNVPIKA-UHFFFAOYSA-N

Formula

C25H21N3O3

Mass

411.461

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodiazepines

Subclass

1,4-benzodiazepines

Intermediate Tree Nodes

Not available

Direct Parent

1,4-benzodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,4-benzodiazepine - Alpha-amino acid or derivatives - Anisole - Benzonitrile - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Imine - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.

External Descriptors

Not available

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