Structure Information
Structure

Compound Identification

SMILES

CC(C)CCCOC1=CC=CC(=O)\C1=C1\NC(N)=C(C#N)C(=C1)C1CCNCC1

InChIKey

InChIKey=WJAXCQIKJNEHJW-QOCHGBHMSA-N

Formula

C23H30N4O2

Mass

394.519

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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 - Cyclic ketones - Quinomethanes

Direct Parent

O-quinomethanes

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

O-quinomethane - Dihydropyridine - Hydropyridine - Piperidine - Vinylogous amide - Ketene acetal or derivatives - Secondary aliphatic amine - Carbonitrile - Nitrile - Azacycle - Secondary amine - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Aliphatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as o-quinomethanes. These are organic compounds containing a benzene ring conjugated to a methylidene group and a ketone at carbon atoms 1 and 2, respectively.

External Descriptors

Not available

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