Compound Identification
SMILES
O=C(CCCN1CC2CCC(CC2)C1)C1=CC2=C(C=C1)C1=CC=CC3=C(C=CC2=C13)C(=O)CCCN1CC2CCC(CC2)C1
InChIKey
InChIKey=IIJGPBBWAGNALF-UHFFFAOYSA-N
Formula
C40H48N2O2
Mass
588.836
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
Naphthalenes Aryl alkyl ketones Azepanes Gamma-amino ketones Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - Naphthalene - Aryl ketone - Aryl alkyl ketone - Azepane - Gamma-aminoketone - Ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - 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