Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)N1CCN(CC2=C(O)C=CC3=C2OC(=O)C=C3)CC1
InChIKey
InChIKey=JRHZZJAZMHONLN-UHFFFAOYSA-N
Formula
C22H22N2O4
Mass
378.428
Taxonomic Classification
Taxonomy Tree
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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
Phenylpiperazines 7-hydroxycoumarins N-arylpiperazines 1-benzopyrans Acetophenones Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids N-alkylpiperazines Aralkylamines Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 7-hydroxycoumarin - Hydroxycoumarin - Phenylpiperazine - N-arylpiperazine - Coumarin - Benzopyran - 1-benzopyran - Acetophenone - Benzoyl - Aniline or substituted anilines - Aryl alkyl ketone - Dialkylarylamine - 1-hydroxy-2-unsubstituted benzenoid - N-alkylpiperazine - Pyranone - Aralkylamine - Phenol - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Pyran - Piperazine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - 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