Compound Identification
SMILES
CCC1=CC(=CC(=C1)C1=CC(NC2CCNC=C2)=C2C=NC=CC2=C1)C#N
InChIKey
InChIKey=NTQMIBPEVSOVCK-UHFFFAOYSA-N
Formula
C23H22N4
Mass
354.457
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
Benzonitriles Tetrahydropyridines Secondary alkylarylamines Heteroaromatic compounds Nitriles Enamines Dialkylamines Azacyclic compounds Allylamines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Benzonitrile - Tetrahydropyridine - Secondary aliphatic/aromatic amine - Benzenoid - Pyridine - Hydropyridine - Monocyclic benzene moiety - Heteroaromatic compound - Allylamine - Azacycle - Secondary amine - Nitrile - Carbonitrile - Enamine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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