Compound Identification
SMILES
O=C(C1CCN(CC2=CC=NC=C2)CC1)C1=CC=C(C=C1)N1C=CN=C1
InChIKey
InChIKey=WWRIJVQGLQGSSL-UHFFFAOYSA-N
Formula
C21H22N4O
Mass
346.434
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
Phenylimidazoles Benzoyl derivatives Aryl alkyl ketones Aralkylamines Pyridines and derivatives Piperidines N-substituted imidazoles Gamma-amino ketones Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylimidazole - Benzoyl - Aryl alkyl ketone - Aralkylamine - Monocyclic benzene moiety - Gamma-aminoketone - Benzenoid - N-substituted imidazole - Pyridine - Piperidine - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen 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