Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.ClC1=CC=C(S1)C(=O)N1CC2=CC=CC=C2N(CC2CCN(CC2)C2=CC=NC=C2)C(=O)C1

InChIKey

InChIKey=IEDOKNFUGQPTTJ-UHFFFAOYSA-N

Formula

C27H26ClF3N4O4S

Mass

595.03

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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 - 2-heteroaryl carboxamide - Tertiary aliphatic/aromatic amine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Dialkylarylamine - Aminopyridine - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Piperidine - Pyridine - Benzenoid - Tertiary carboxylic acid amide - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Thiophene - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organofluoride - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organooxygen compound - 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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