Structure Information
Structure

Compound Identification

SMILES

CCC1=NN2C(N=NC3=C2C=CN(C2=CC=C(C=C2)C(C)=O)C3=O)=C1C1=CC=C(OC)C=C1

InChIKey

InChIKey=DBPVXQAHYJIVGO-UHFFFAOYSA-N

Formula

C25H21N5O3

Mass

439.475

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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 - Phenylpyrazole - Acetophenone - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Aryl alkyl ketone - Alkyl aryl ether - Pyridinone - 1,2,4-triazine - Benzenoid - Triazine - Monocyclic benzene moiety - Pyridine - Vinylogous amide - Azole - Heteroaromatic compound - Pyrazole - Lactam - Ether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - 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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