Structure Information
Structure

Compound Identification

SMILES

CCC(=O)NCC[C@@H]1CCC2=C1C1=C(OCC1)C=C2.CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3=C(C=CC(Cl)=C3)N12

InChIKey

InChIKey=RCDBGAOIMBAJEE-WKEFIFSLSA-N

Formula

C33H33Cl2N5O2

Mass

602.56

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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

Not available

Substituents

1,4-benzodiazepine - Coumaran - Indane - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Ketimine - Oxacycle - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Imine - Organooxygen compound - Organonitrogen compound - 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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