Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1CC[C@H]2CC(=O)N(C)[C@@H]3O[C@]4(CC5=CC=CC=C5)CC[C@@H]1[C@@]23OO4

InChIKey

InChIKey=RUFRCETWTFIINE-CQAWWZBVSA-N

Formula

C21H27NO4

Mass

357.45

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Isoquinolones and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Isoquinolones and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoquinolone - Azaspirodecane - Delta-lactam - Oxepane - Piperidinone - Monocyclic benzene moiety - Piperidine - 1,2,4-trioxane - Benzenoid - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Dialkyl peroxide - Oxacycle - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.

External Descriptors

Not available

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