Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(Cl)C=C1)C1=CC2=C(NC(=O)[C@@H]3[C@H](CCN3C2=O)NC(=O)CC2=CC=CS2)C=C1

InChIKey

InChIKey=KNJKXJCYYLCNIT-REWPJTCUSA-N

Formula

C25H22ClN3O4S

Mass

495.98

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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

Aromatic heteropolycyclic compounds

Substituents

1,4-benzodiazepine - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Pyrrolidine - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - 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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