Compound Identification
SMILES
O.CN1C2=C(N(CC(O)CN3CCC(CC3)C(=O)C3=CC=C(F)C=C3)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=PQAAYIPEDNVPIZ-UHFFFAOYSA-N
Formula
C22H28FN5O5
Mass
461.494
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
Xanthines 6-oxopurines Alkaloids and derivatives Aryl alkyl ketones Benzoyl derivatives Pyrimidones Fluorobenzenes Piperidines Aryl fluorides N-substituted imidazoles Gamma-amino ketones Vinylogous amides Heteroaromatic compounds 1,2-aminoalcohols Ureas Trialkylamines Secondary alcohols Lactams Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Xanthine - 6-oxopurine - Purinone - Imidazopyrimidine - Alkaloid or derivatives - Purine - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Gamma-aminoketone - N-substituted imidazole - Piperidine - Pyrimidine - Benzenoid - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - 1,2-aminoalcohol - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Lactam - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organohalogen compound - Organofluoride - 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