Compound Identification
SMILES
CC(=O)NCCCC1=NN=C(SCC(=O)C2=CC=C(I)C=C2)N1C1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=GCBNGQJZMFMWAK-UHFFFAOYSA-N
Formula
C22H20F3IN4O2S
Mass
588.39
Taxonomic Classification
Taxonomy Tree
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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 Trifluoromethylbenzenes Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Iodobenzenes Aryl iodides Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organofluorides Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides Organoiodides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenyltriazole - Phenyl-1,2,4-triazole - Trifluoromethylbenzene - Aryl thioether - Benzoyl - Aryl alkyl ketone - Halobenzene - Iodobenzene - Alkylarylthioether - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Thioether - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organohalogen compound - Alkyl halide - Organofluoride - Organoiodide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic nitrogen compound - Organonitrogen compound - Organopnictogen 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