Structure Information
Structure

Compound Identification

SMILES

CCC1=CC=CC(=C1)[C@@]1(NCC(=O)N(CC2=C(F)C=C(F)C=C2F)C2=C1C=C(Cl)C=C2)[C@H](OC1=CC(C)=CC(C)=N1)C(O)=O

InChIKey

InChIKey=YSXIBLOUWYBYAZ-VTIYRKAUSA-N

Formula

C33H29ClF3N3O4

Mass

624.06

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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

3-phenylpropanoic-acid - 1,4-benzodiazepine - Alpha-amino acid or derivatives - Alkyl aryl ether - Halobenzene - Aralkylamine - Fluorobenzene - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Pyridine - Aryl halide - Aryl chloride - Aryl fluoride - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Secondary amine - Azacycle - Ether - Secondary aliphatic amine - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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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