Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=C(NC(=O)C2=CC(N)=CC(N)=C2)C=C2C(C)=CC(=O)OC2=C1

InChIKey

InChIKey=PUFUTDBGUSUJTA-UHFFFAOYSA-N

Formula

C21H24N4O3

Mass

380.448

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Aminobenzoic acid or derivatives - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Lactone - Carboxamide group - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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