Compound Identification
SMILES
CN(C)CCN(CC1=CC=CO1)C(=O)CN1N=CC2=C1C1=C(OC2=O)C=CC(C)=C1
InChIKey
InChIKey=VDBBPQMURZMOSW-UHFFFAOYSA-N
Formula
C22H24N4O4
Mass
408.458
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 Pyranones and derivatives Benzenoids Vinylogous amides Tertiary carboxylic acid amides Pyrazoles Furans Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactones Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Azole - Pyrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Furan - Carboxamide group - Tertiary amine - Amino acid or derivatives - Lactone - Tertiary aliphatic amine - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - 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