Structure Information
Structure

Compound Identification

SMILES

CC1(C)CC(=O)C2=C(C1)NC1=C(NC2C2=C(Cl)C=C(OCC3=CC=CC=C3)C=C2)C=CC=C1O

InChIKey

InChIKey=YQVYNYQACLTQCA-UHFFFAOYSA-N

Formula

C28H27ClN2O3

Mass

474.99

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodiazepine - Phenoxy compound - Phenol ether - Halobenzene - Chlorobenzene - Para-diazepine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Aralkylamine - Cyclohexenone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous amide - Ketone - Secondary amine - Azacycle - Enamine - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - 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 benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).

External Descriptors

Not available

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