Compound Identification
SMILES
CC1=C(C(C2=CC=CO2)C(C#N)=C(N1)SCC(=O)C1=CC=CC=C1)C(=O)NC1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=UKGNNGNYADNVKJ-UHFFFAOYSA-N
Formula
C27H20F3N3O3S
Mass
523.53
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
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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
Trifluoromethylbenzenes Anilides Aryl alkyl ketones Benzoyl derivatives N-arylamides Dihydropyridines Vinylogous amides Furans Heteroaromatic compounds Secondary carboxylic acid amides Ketene acetals Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Nitriles Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Aldehydes Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Trifluoromethylbenzene - Anilide - Benzoyl - N-arylamide - Aryl alkyl ketone - Dihydropyridine - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Furan - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Ketene acetal or derivatives - Secondary carboxylic acid amide - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Alkyl halide - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Cyanide - Organofluoride - Aldehyde - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic 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