Compound Identification
SMILES
COC(=O)C1CC(N2C=CC=C(C#N)C12)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=VYIBKKZVEFVSOF-UHFFFAOYSA-N
Formula
C18H16N2O3
Mass
308.337
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
Pyrrolidine carboxylic acids Benzoyl derivatives Aryl alkyl ketones Dihydropyridines Methyl esters Alpha-amino ketones Trialkylamines Amino acids and derivatives Nitriles Monocarboxylic acids and derivatives Enamines Azacyclic compounds Allylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aryl alkyl ketone - Dihydropyridine - Monocyclic benzene moiety - Benzenoid - Alpha-aminoketone - Pyrrolidine - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Enamine - Allylamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Cyanide - 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