Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1[C@@H]([C@H]2C(=O)CC(C)(C)C=C2N=C1C)C1=C(C)N(C)C(=C1)C#N

InChIKey

InChIKey=YLXBYHNEZSPLNG-NRRUETGQSA-N

Formula

C22H27N3O3

Mass

381.476

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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

Direct Parent

Cyclohexenones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cyclohexenone - Tetrahydropyridine - N-methylpyrrole - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Ketimine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Imine - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

External Descriptors

Not available

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