Compound Identification
SMILES
O[C@]1(CC(=O)C2=CC=CC=C2)C(=O)N(C[NH+]2CCOCC2)C2=CC=CC=C12
InChIKey
InChIKey=IDTNGXPTRSXKBA-NRFANRHFSA-O
Formula
C21H23N2O4
Mass
367.424
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
Indoles and derivatives Benzoyl derivatives Aryl alkyl ketones Morpholines Beta-hydroxy ketones Tertiary carboxylic acid amides Tertiary alcohols Quaternary ammonium salts Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indole or derivatives - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Beta-hydroxy ketone - Morpholine - Oxazinane - Benzenoid - Tertiary carboxylic acid amide - Tertiary alcohol - Quaternary ammonium salt - Carboxamide group - Lactam - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Dialkyl ether - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Organic cation - 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