Compound Identification
SMILES
C[C@H](OC(=O)C1CCN(CC1)C1=[NH+]C=C(C=C1)C(F)(F)F)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=KJVPEJGKDYIWMJ-AWEZNQCLSA-O
Formula
C21H22F3N2O3
Mass
407.413
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
Piperidinecarboxylic acids Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Alpha-acyloxy ketones Aminopyridines and derivatives Pyridinium derivatives Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Piperidinecarboxylic acid - Benzoyl - Dialkylarylamine - Aryl alkyl ketone - Aminopyridine - Alpha-acyloxy ketone - Monocyclic benzene moiety - Benzenoid - Pyridinium - Pyridine - Piperidine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organic cation - 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