Compound Identification
SMILES
O=C(CCC1CCN(CC1)C1=CC=CC2=C1C=CN=C2)C1=CC2=C(CC(=O)O2)C=C1
InChIKey
InChIKey=SMYGQEUESOHNBE-UHFFFAOYSA-N
Formula
C25H24N2O3
Mass
400.478
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
Isoquinolines and derivatives Coumarans Benzofurans Aryl alkyl ketones Dialkylarylamines Pyridines and derivatives Piperidines Heteroaromatic compounds Amino acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - Isoquinoline - Benzofuran - Coumaran - Aryl ketone - Dialkylarylamine - Aryl alkyl ketone - Piperidine - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Ketone - Lactone - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen 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