Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C(O)=O.CN1CCN(CCCN2C3=C(C=C(Cl)C=C3)C(=NCC2=O)C2=CC=CC=C2F)CC1

InChIKey

InChIKey=DRGNANCAYDSUIB-BTJKTKAUSA-N

Formula

C27H30ClFN4O5

Mass

545.01

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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

Not available

Substituents

1,4-benzodiazepine - Alpha-amino acid or derivatives - Halobenzene - Fluorobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - 1,4-diazinane - Piperazine - Unsaturated fatty acid - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Lactam - Ketimine - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organochloride - Imine - Organohalogen 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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