Compound Identification
SMILES
CCOC1=C(C[NH+]2CCN(CC2)C2=CC=C(O)C=C2)C=C(C=C1)C(C)=O
InChIKey
InChIKey=FKOWPUOOXNBOHY-UHFFFAOYSA-O
Formula
C21H27N2O3
Mass
355.457
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
N-arylpiperazines Phenylpiperazines Acetophenones p-Aminophenols Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Benzylamines Dialkylarylamines Phenol ethers Phenoxy compounds Phenylmethylamines Alkyl aryl ethers N-alkylpiperazines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Quaternary ammonium salts Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Acetophenone - Phenylmethylamine - Phenoxy compound - Tertiary aliphatic/aromatic amine - Phenol ether - P-aminophenol - Benzylamine - Aryl alkyl ketone - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Aminophenol - Aralkylamine - N-alkylpiperazine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organic oxide - 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