Compound Identification
SMILES
ClC1=CC2=C(OC(=O)C=C2NC2CCN(CC3=CC4=CC=CC=C4C=C3)CC2)C=C1
InChIKey
InChIKey=OPTNEFBOFIJLSP-UHFFFAOYSA-N
Formula
C25H23ClN2O2
Mass
418.92
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 Naphthalenes Secondary alkylarylamines Pyranones and derivatives Aminopiperidines Aralkylamines Aryl chlorides Vinylogous amides Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - Naphthalene - 1-benzopyran - 4-aminopiperidine - Pyranone - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Pyran - Piperidine - Aryl chloride - Aryl halide - Vinylogous amide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Organoheterocyclic compound - Secondary amine - Oxacycle - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organochloride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - 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