Compound Identification
SMILES
CC1=CC2=C(C=C1)C(C[NH+]1CCN(CC3=CC(Cl)=CC=C3)CC1)=CC(=O)O2
InChIKey
InChIKey=WRHWVCAYGJOCSG-UHFFFAOYSA-O
Formula
C22H24ClN2O2
Mass
383.9
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 Benzylamines Phenylmethylamines Aralkylamines Chlorobenzenes N-alkylpiperazines Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Quaternary ammonium salts Lactones Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Pyranone - Aralkylamine - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyran - Benzenoid - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Azacycle - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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