Compound Identification
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C(C1=[N+](C)C3=CC=CC=C3N1C)C(=O)O2
InChIKey
InChIKey=WLMBBHKEDKVSJO-UHFFFAOYSA-N
Formula
C22H24N3O2
Mass
362.452
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 Benzimidazoles Dialkylarylamines Pyranones and derivatives N-substituted imidazoles Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-benzopyran - Benzopyran - Benzimidazole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyranone - Benzenoid - Pyran - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Tertiary amine - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic cation - 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