Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)N1CCCN(CC1)C(=O)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=IVXHYFVGGNIQBB-UHFFFAOYSA-N
Formula
C21H22N2O4
Mass
366.417
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
Acetophenones Benzodioxoles Aniline and substituted anilines Aryl alkyl ketones Dialkylarylamines Benzoyl derivatives 1,4-diazepanes Tertiary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Organic oxides Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Benzodioxole - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - 1,4-diazepane - Diazepane - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Acetal - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aldehyde - Organic oxide - Amine - Organonitrogen 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