Structure Information
Structure

Compound Identification

SMILES

O=C1C(CC2=CN=CN2)CCC2=C1C=NC=C2

InChIKey

InChIKey=YXTDMJQXEHKWMI-UHFFFAOYSA-N

Formula

C13H13N3O

Mass

227.267

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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

Direct Parent

Aryl alkyl ketones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl alkyl ketone - Pyridine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.

External Descriptors

Not available

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