Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC[C@@H]1N=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N2C(C)=NC=C12

InChIKey

InChIKey=MCTILYQGJNAZGL-SFHVURJKSA-N

Formula

C22H19ClFN3O2

Mass

411.86

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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

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

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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