Compound Identification
SMILES
OCCN1CCN(CC2=CC(=O)OC3=CC4=C(CCC4)C=C23)CC1
InChIKey
InChIKey=NQIWHYVNHNVKIQ-UHFFFAOYSA-N
Formula
C19H24N2O3
Mass
328.412
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 Indanes Pyranones and derivatives N-alkylpiperazines Aralkylamines Heteroaromatic compounds Trialkylamines Lactones 1,2-aminoalcohols Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Indane - Pyranone - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Pyran - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Lactone - Azacycle - Alkanolamine - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Amine - Primary alcohol - Organic oxide - 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