Compound Identification
SMILES
COC1=NC=CC(CN2C(=O)NC(=O)C(C(C)C)=C2C(=O)C2=CC(C)=CC(Cl)=C2)=C1
InChIKey
InChIKey=GKCHKYZBYWMHLN-UHFFFAOYSA-N
Formula
C22H22ClN3O4
Mass
427.89
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
Pyrimidinecarboxylic acids and derivatives Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Pyrimidones Toluenes Hydropyrimidines Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Vinylogous amides Lactams Ureas Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl-phenylketone - Pyrimidine-6-carboxylic acid or derivatives - Benzoyl - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Pyrimidine - Pyridine - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Ether - Organoheterocyclic compound - Azacycle - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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