Compound Identification
SMILES
CC1=CC(=CC=C1)N1C(CNC(=O)C2=CC=CC=C2F)=NN=C1SCC(=O)C1=CC=CC=C1
InChIKey
InChIKey=OKWRVIGUVMFSIN-UHFFFAOYSA-N
Formula
C25H21FN4O2S
Mass
460.53
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
Phenyl-1,2,4-triazoles 2-halobenzoic acids and derivatives Benzamides Aryl alkyl ketones Benzoyl derivatives Toluenes Alkylarylthioethers Fluorobenzenes Aryl fluorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Aryl thioether - Fluorobenzene - Alkylarylthioether - Toluene - Halobenzene - Benzenoid - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Triazole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Thioether - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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