Structure Information
Structure

Compound Identification

SMILES

I.ClC1=CC=C(C=C1)N1CCN(CCC(=O)C2=CC=C(NC3=NCCN3)C=C2)CC1

InChIKey

InChIKey=INJCMYWUPRUZON-UHFFFAOYSA-N

Formula

C22H27ClIN5O

Mass

539.85

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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 heteromonocyclic compounds

Substituents

Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - 1,4-diazinane - Piperazine - Benzenoid - 2-imidazoline - Tertiary aliphatic amine - Tertiary amine - Guanidine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboximidamide - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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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