Compound Identification
SMILES
ClC1=CC2=C(OC(=O)C=C2CN2CCN(CC3=CC=CC=C3)CC2)C=C1
InChIKey
InChIKey=ZUFJYRMOVXEQIB-UHFFFAOYSA-N
Formula
C21H21ClN2O2
Mass
368.86
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 Pyranones and derivatives N-alkylpiperazines Aryl chlorides Heteroaromatic compounds Lactones Trialkylamines Azacyclic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzylamine - Phenylmethylamine - Pyranone - N-alkylpiperazine - Aralkylamine - Aryl chloride - Benzenoid - Pyran - Piperazine - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Organoheterocyclic compound - Oxacycle - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - 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