Compound Identification
SMILES
CC1=CC(C)=C(CN2C3=CC=CC=C3C(O)(CC(=O)C3=CC=C(Cl)C=C3)C2=O)C=C1
InChIKey
InChIKey=MWAWYFFGZHKIOL-UHFFFAOYSA-N
Formula
C25H22ClNO3
Mass
419.91
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 m-Xylenes Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Beta-hydroxy ketones Aryl chlorides Tertiary carboxylic acid amides Tertiary alcohols Lactams Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indole or derivatives - Aryl alkyl ketone - Benzoyl - Xylene - M-xylene - Halobenzene - Chlorobenzene - Beta-hydroxy ketone - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Tertiary carboxylic acid amide - Tertiary alcohol - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organochloride - Organohalogen 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