Structure Information
Structure

Compound Identification

SMILES

NC1=NC2=C(C=NN2)C(=N1)N1CCN(CC2=CC=CC=C2Cl)C2=CC=CC=C2C1

InChIKey

InChIKey=XDSYITHMAPAPJW-UHFFFAOYSA-N

Formula

C21H20ClN7

Mass

405.89

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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 - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Benzylamine - Phenylmethylamine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Aralkylamine - Pyrimidine - Aryl chloride - Imidolactam - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Tertiary amine - Azacycle - Primary amine - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - 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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