Compound Identification
SMILES
CCC(=O)NCC1CC(C(=O)O1)C1=CC=C(C=C1)C(=O)C1=CN=C2N=CC(Cl)=CN12
InChIKey
InChIKey=VZWJJFKHPPRYAB-UHFFFAOYSA-N
Formula
C21H19ClN4O4
Mass
426.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Aryl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Aryl-phenylketones
Alternative Parents
Imidazo[1,2-a]pyrimidines Benzoyl derivatives Carbonylimidazoles Halopyrimidines Aryl chlorides Gamma butyrolactones N-substituted imidazoles Oxolanes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - Imidazo[1,2-a]pyrimidine - Benzoyl - Halopyrimidine - Imidazole-4-carbonyl group - Aryl chloride - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Gamma butyrolactone - Pyrimidine - Imidazole - Azole - Heteroaromatic compound - Oxolane - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available