Structure Information
Structure

Compound Identification

SMILES

CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(C2=CC=CC=C2)C2=C(C=C(CCSCCN)C=C2)C1=O

InChIKey

InChIKey=HNQIXRZXGBBCPF-UHFFFAOYSA-N

Formula

C25H26F3N3O5S

Mass

537.55

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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 - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous amide - Alpha-halocarboxylic acid derivative - Tertiary carboxylic acid amide - Alpha-halocarboxylic acid or derivatives - Carboxylic acid anhydride - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organic oxide - Primary aliphatic amine - Organohalogen compound - Alkyl halide - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alkyl fluoride - Organosulfur compound - Amine - Primary amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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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