Structure Information
Structure

Compound Identification

SMILES

CN(C)CCCN1NC2=CC(=O)N(C3=CC=CC=C3)C3=C(C=CC(Br)=C3)N2C1=O

InChIKey

InChIKey=GWEHAEDUJCLUJZ-UHFFFAOYSA-N

Formula

C21H22BrN5O2

Mass

456.344

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Triazolodiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Triazolodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Triazolo-para-diazepine - Para-diazepine - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Benzenoid - Semicarbazide - Tertiary carboxylic acid amide - Triazolidine - 1,2,4-triazolidinone - Acrylic acid or derivatives - Vinylogous amide - Ketene acetal or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as triazolodiazepines. These are heterocyclic aromatic compounds containing a triazole ring fused to a diazepine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.

External Descriptors

Not available

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