Structure Information
Structure

Compound Identification

SMILES

CC1=CC(=O)N2C(CCN3CCC(CC3)C(=O)C3=CC=C(F)C=C3)=CSC2=N1

InChIKey

InChIKey=WVCYNZRFHBJTGA-UHFFFAOYSA-N

Formula

C21H22FN3O2S

Mass

399.48

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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 - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Gamma-aminoketone - Piperidine - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactam - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - 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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