Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1NC(=O)C1=C(C)NC(SCC(=O)C2=CC=C(Cl)C=C2)=C(C#N)C1C1=CC=CO1

InChIKey

InChIKey=XQBGIRHHHCSWLE-UHFFFAOYSA-N

Formula

C27H22ClN3O4S

Mass

520.0

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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 - Anilide - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Dihydropyridine - Halobenzene - Hydropyridine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Heteroaromatic compound - Furan - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Organoheterocyclic compound - Ether - Nitrile - Carbonitrile - Sulfenyl compound - Oxacycle - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Aldehyde - Organic nitrogen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Cyanide - Organic oxide - 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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