Compound Identification
SMILES
CC1=CC=CC=C1\C=C\N1CCC(CC1)NC1=CC(=O)OC2=C1C=C(Cl)C=C2
InChIKey
InChIKey=POXWFEUZXBDLMZ-DHZHZOJOSA-N
Formula
C23H23ClN2O2
Mass
394.9
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 Styrenes Toluenes Secondary alkylarylamines Pyranones and derivatives Aminopiperidines Aryl chlorides Vinylogous amides Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Enamines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Styrene - 4-aminopiperidine - Pyranone - Secondary aliphatic/aromatic amine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Lactone - Organoheterocyclic compound - Azacycle - Secondary amine - Oxacycle - Enamine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen 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