Structure Information
Structure

Compound Identification

SMILES

COCCN1N=C([C@@H]2CCCN2C(=O)CCC#C)C2=C1CC(C)(C)CC2=O

InChIKey

InChIKey=AWQJSRVPLOVCAS-HNNXBMFYSA-N

Formula

C21H29N3O3

Mass

371.481

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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

N-acylpyrrolidine - Aryl alkyl ketone - Azole - Heteroaromatic compound - Pyrazole - Pyrrolidine - Vinylogous amide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Acetylide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic nitrogen 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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