Structure Information
Structure

Compound Identification

SMILES

Br.COC1=CC=C(C=C1)C(=O)CN1C2=NCCN2C2=CC=CC=C12

InChIKey

InChIKey=NBIPCJAXBOPAEK-UHFFFAOYSA-N

Formula

C18H18BrN3O2

Mass

388.265

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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

Benzimidazoles Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Imidazolines Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Hydrobromides Amines

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alkyl-phenylketone - Benzimidazole - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 2-imidazoline - Guanidine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Ether - Azacycle - Organic 1,3-dipolar compound - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrobromide - Organic oxide - Hydrocarbon derivative - 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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