Structure Information
Structure

Compound Identification

SMILES

CC1(C)CC(=O)C2=C(C1)NC1=CC=CC=C1N(C2C1=CC=C(F)C=C1)C(=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=RTSURMGNNYXQDD-UHFFFAOYSA-N

Formula

C28H24BrFN2O2

Mass

519.414

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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 - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Bromobenzene - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Para-diazepine - Aryl bromide - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Tertiary carboxylic acid amide - Ketone - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Secondary amine - Enamine - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organofluoride - Amine - 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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