Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)C(=O)CC1=NN2C(N)=NN=C2N=C1CC(=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=NDZUEZWURNJDLT-UHFFFAOYSA-N

Formula

C22H20N6O2

Mass

400.442

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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 - Toluene - Monocyclic benzene moiety - Triazine - Benzenoid - 1,2,4-triazine - Azole - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - 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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