Compound Identification
SMILES
NC1=NC(=C(S1)[C@@H]1CCN(CCCC(=O)C2=CC=C(F)C=C2)C1)C1=CC=C(F)C=C1
InChIKey
InChIKey=PMIAIKWRXUGRQG-QGZVFWFLSA-N
Formula
C23H23F2N3OS
Mass
427.51
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
Phenylbutylamines Butyrophenones 2,4,5-trisubstituted thiazoles Aryl alkyl ketones Benzoyl derivatives Aralkylamines Fluorobenzenes 2-amino-1,3-thiazoles Aryl fluorides N-alkylpyrrolidines Gamma-amino ketones Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxides Primary amines Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Aralkylamine - Aryl fluoride - Gamma-aminoketone - Aryl halide - 1,3-thiazol-2-amine - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Thiazole - Azole - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Primary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen 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