Structure Information
Structure

Compound Identification

SMILES

CCC1(C)CC2=C(CO1)C=C1C(=O)N(CC3=CC=CC=C3)C(SCC(=O)C3=CC=C(Cl)C=C3)=NC1=N2

InChIKey

InChIKey=OXSSCANHCZZASA-UHFFFAOYSA-N

Formula

C28H26ClN3O3S

Mass

520.04

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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 - Pyrido[2,3-d]pyrimidine - Pyranopyridine - Pyridopyrimidine - Benzoyl - Aryl thioether - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Thioether - Oxacycle - Dialkyl ether - Ether - Aldehyde - Organic oxide - Organohalogen compound - Organochloride - Organopnictogen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen 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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