Structure Information
Structure

Compound Identification

SMILES

COC(=O)C[C@@H]1NC2=C(CN(CCC3=CC=CC=C3)C1=O)C=C(C=C2)C(O)=O

InChIKey

InChIKey=PMTVGVNNGFUGJQ-SFHVURJKSA-N

Formula

C21H22N2O5

Mass

382.416

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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 - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Methyl ester - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - 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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