Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC(=O)C2=CC3=CC=CC=C3N2)C=C2N=C[C@@H]3CCCN3C(=O)C2=C1

InChIKey

InChIKey=MQRZJGARDSCQHC-AWEZNQCLSA-N

Formula

C22H19N3O4

Mass

389.411

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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

Pyrrolo[2,1-c][1,4]benzodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrrolo[2,1-c][1,4]benzodizepine - Indolecarboxylic acid derivative - Indole - Indole or derivatives - Anisole - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Carboxamide group - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Imine - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolo[2,1-c][1,4]benzodiazepines. These are heterocyclic aromatic compounds containing a 1,4-benzodiazepine ring system that is fused to, and shared a nitrogen atom with a pyrrole ring.

External Descriptors

Not available

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