Structure Information
Structure

Compound Identification

SMILES

CN1C2=C(N(CC(=O)C3=CC=CC=C3)C(Br)=N2)C(=O)N(CC2=CC=CC=C2)C1=O

InChIKey

InChIKey=DNUQQXZNYKOIQH-UHFFFAOYSA-N

Formula

C21H17BrN4O3

Mass

453.296

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbonyl compounds

Intermediate Tree Nodes

Ketones - Aryl ketones - Phenylketones

Direct Parent

Alkyl-phenylketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Imidazopyrimidine - Purine - Benzoyl - Aryl alkyl ketone - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Lactam - Urea - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.

External Descriptors

Not available

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