Compound Identification
SMILES
CCN(CC)C1=C(NC(=O)C2=CC=CC=C2)C=C2C(C)=CC(=O)OC2=C1
InChIKey
InChIKey=ZJQQEMYVOKBKTG-UHFFFAOYSA-N
Formula
C21H22N2O3
Mass
350.418
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
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
1-benzopyrans Benzamides Dialkylarylamines Benzoyl derivatives Pyranones and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Lactones Amino acids and derivatives Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Heteroaromatic compound - Lactone - Carboxamide group - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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