Structure Information
Structure

Compound Identification

SMILES

CN(CC#C)CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=CC=CC=C3N12

InChIKey

InChIKey=WMWSMDGLGALBGG-UHFFFAOYSA-N

Formula

C21H18ClN5

Mass

375.86

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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

1,2,4-triazolo[4,3-a][1,4]benzodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,2,4-triazolo[4,3-a][1,4]benzodiazepine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Heteroaromatic compound - Azole - 1,2,4-triazole - Ketimine - Tertiary amine - Tertiary aliphatic amine - Acetylide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Imine - Amine - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,2,4-triazolo[4,3-a][1,4]benzodiazepines. These are aromatic compounds containing a 1,4-benzodiazepine fused to and sharing a nitrogen atom with a 1,2,4-triazole ring.

External Descriptors

Not available

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