Compound Identification
SMILES
[Na+].CC(C=C([O-])N1C=CC2=CC=CC=C2C1C#N)C(C(C)C#N)C(=O)C1=NC=CC2=CC=CC=C12
InChIKey
InChIKey=COZSKHHLIYOQPB-UHFFFAOYSA-M
Formula
C28H23N4NaO2
Mass
470.508
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Aryl alkyl ketones Pyridines and derivatives Benzenoids Heteroaromatic compounds Ketene acetals Nitriles Azacyclic compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Aryl ketone - Aryl alkyl ketone - Pyridine - Benzenoid - Heteroaromatic compound - Ketene acetal or derivatives - Ketone - Carbonitrile - Nitrile - Azacycle - Organic alkali metal salt - Hydrocarbon derivative - Organic zwitterion - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic salt - Organic sodium salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available