Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)NCCCN)C(=O)O2

InChIKey

InChIKey=QLQIMRZIQDCPOE-UHFFFAOYSA-N

Formula

C17H23N3O3

Mass

317.389

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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 - Benzopyran - 1-benzopyran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organic oxygen compound - Primary amine - Organic oxide - Organic nitrogen compound - Amine - 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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