Compound Identification
SMILES
CC1=NOC(COC(=O)CCC(=O)C2=CC3=C(CCCC3)C=C2)=N1
InChIKey
InChIKey=XCKIFUQXTNWCQI-UHFFFAOYSA-N
Formula
C18H20N2O4
Mass
328.368
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
Tetralins Gamma-keto acids and derivatives Aryl alkyl ketones Fatty acid esters Heteroaromatic compounds 1,2,4-oxadiazoles Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - Tetralin - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Fatty acid ester - Keto acid - Fatty acyl - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Azacycle - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available