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
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 Aminobenzoic acids and derivatives Benzamides Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Pyranones and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactones Oxacyclic compounds Organic oxides Organooxygen compounds Primary amines Hydrocarbon derivatives
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