Compound Identification
SMILES
CC1=C(Cl)C=C2C(CN3CCN(CC(=O)N4CCCCCC4)CC3)=CC(=O)OC2=C1
InChIKey
InChIKey=SXBJUARZGDPDOK-UHFFFAOYSA-N
Formula
C23H30ClN3O3
Mass
431.96
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 Alpha amino acids and derivatives N-piperazineacetamides Pyranones and derivatives N-alkylpiperazines Aralkylamines Azepanes Aryl chlorides Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Alpha-amino acid or derivatives - N-piperazineacetamide - Benzopyran - 1-benzopyran - Pyranone - Azepane - N-alkylpiperazine - Aralkylamine - Aryl chloride - Pyran - Benzenoid - 1,4-diazinane - Aryl halide - Piperazine - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactone - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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