Compound Identification
SMILES
CCS(=O)(=O)NC1=C(F)C(C(=O)C2CNC3=C2C=C(C=N3)C2=CN=CC=C2)=C(F)C=C1
InChIKey
InChIKey=KOHWBDQUMBKIEF-UHFFFAOYSA-N
Formula
C21H18F2N4O3S
Mass
444.46
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
Bipyridines and oligopyridines Sulfanilides Pyrrolopyridines Aryl alkyl ketones Benzoyl derivatives Fluorobenzenes Organosulfonamides Organic sulfonamides Imidolactams Aryl fluorides Vinylogous halides Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Bipyridine - Sulfanilide - Pyrrolopyridine - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Imidolactam - Vinylogous halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Organic sulfonic acid or derivatives - Azacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - 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