Structure Information
Structure

Compound Identification

SMILES

CCC(=O)C1=C(O)C([C@@H]2C[C@@H]2NC(=O)NC2=NC=C(Br)C=C2)=C(F)C=C1

InChIKey

InChIKey=VRAJWAGCJIXJHQ-YPMHNXCESA-N

Formula

C18H17BrFN3O3

Mass

422.254

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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 - Phenylpropane - Benzoyl - 3-halophenol - 3-fluorophenol - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Monocyclic benzene moiety - Aryl bromide - Aryl fluoride - Pyridine - Benzenoid - Aryl halide - Imidolactam - Heteroaromatic compound - Vinylogous acid - Carbonic acid derivative - Urea - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen 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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