Structure Information
Structure

Compound Identification

SMILES

CC1(C)CC(=O)C2=C(C1)NC1=CC=CC=C1N(C1OC(=O)C3=CC=CC=C13)C2C1=CC(Br)=CC=C1

InChIKey

InChIKey=PZFUMDQZVSIXIG-UHFFFAOYSA-N

Formula

C29H25BrN2O3

Mass

529.434

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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 - Phthalide - Benzofuranone - Isobenzofuranone - Isocoumaran - Dialkylarylamine - Secondary aliphatic/aromatic amine - Para-diazepine - Bromobenzene - Halobenzene - Cyclohexenone - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Benzenoid - Vinylogous amide - Lactone - Amino acid or derivatives - Carboxylic acid ester - Ketone - Oxacycle - Azacycle - Secondary amine - Carboxylic acid derivative - Enamine - Carbonyl group - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organobromide - Organohalogen 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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