Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12

InChIKey

InChIKey=XYGVIBXOJOOCFR-WLHGVMLRSA-N

Formula

C22H17ClFN3O4

Mass

441.84

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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

Imidazo[1,5-a][1,4]benzodiazepines

Alternative Parents

Molecular Framework

Not available

Substituents

Imidazo[1,5-a][1,4]benzodiazepine - Para-diazepine - Halobenzene - Fluorobenzene - N-substituted imidazole - Aryl chloride - Aryl fluoride - Unsaturated fatty acid - Aryl halide - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Ketimine - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Imine - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as imidazo[1,5-a][1,4]benzodiazepines. These are compounds containing an imidazole ring and a 1,4-benzodiazepine ring system, both sharing one nitrogen atom.

External Descriptors

Not available

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