Compound Identification
SMILES
O=C(CCC(=O)C1=CC2=C(OCCCO2)C=C1)OCC1=CC=CC=C1C#N
InChIKey
InChIKey=DRPNZPQQURKUQW-UHFFFAOYSA-N
Formula
C21H19NO5
Mass
365.385
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
-
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
Benzyloxycarbonyls Gamma-keto acids and derivatives Benzonitriles Aryl alkyl ketones Fatty acid esters Alkyl aryl ethers Carboxylic acid esters Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - Benzyloxycarbonyl - Benzonitrile - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Keto acid - Carboxylic acid ester - Ketone - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen 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