Structure Information
Structure

Compound Identification

SMILES

NC1=C(CC(C#N)(C#N)C1(CC(=O)C1=CC=CC=C1)C#N)C=O

InChIKey

InChIKey=QPXHVKFCLYHZGX-UHFFFAOYSA-N

Formula

C17H12N4O2

Mass

304.309

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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 homomonocyclic compounds

Substituents

Alkyl-phenylketone - Butyrophenone - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Gamma-aminoketone - Benzenoid - Vinylogous amide - Carbonitrile - Enamine - Nitrile - Organonitrogen compound - Primary amine - Primary aliphatic amine - Aldehyde - Hydrocarbon derivative - Organic oxide - Cyanide - Organic nitrogen compound - Amine - Aromatic homomonocyclic 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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