Compound Identification
SMILES
CC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)N(C(CC(=O)C2=CC=C(Cl)C=C2)=N1)C1=CC=CC=C1
InChIKey
InChIKey=YKPJJPINSJWPGH-UHFFFAOYSA-N
Formula
C28H27ClN2O2S
Mass
491.05
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 Alkyl-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
Alkyl-phenylketones
Alternative Parents
Thienopyrimidines Benzoyl derivatives Aryl alkyl ketones Pyrimidones Chlorobenzenes Aryl chlorides Thiophenes Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Thienopyrimidine - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Pyrimidone - Benzenoid - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available