Compound Identification
SMILES
C[C@@H]1CCCN(CCCNC(=O)CN2N=CC3=C2C2=C(OC3=O)C=CC(C)=C2)C1
InChIKey
InChIKey=CNPSXNSQXANFAF-MRXNPFEDSA-N
Formula
C22H28N4O3
Mass
396.491
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 Piperidines Benzenoids Vinylogous amides Pyrazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Lactones Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Piperidine - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen 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