Compound Identification
SMILES
O=C(N1CC[C@H](NCC2=CN=CN2CC2=CC=C(C=C2)C#N)C1=O)C1=CN=CC2=CC=CC=C12
InChIKey
InChIKey=VJBOQSYJGGJIIR-DEOSSOPVSA-N
Formula
C26H22N6O2
Mass
450.502
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
Alpha amino acids and derivatives Pyridinecarboxylic acids and derivatives N-acylpyrrolidines Benzonitriles Aralkylamines Pyrrolidine-2-ones N-substituted imidazoles N-substituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Lactams Nitriles Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Isoquinoline - Pyridine carboxylic acid or derivatives - Benzonitrile - N-acylpyrrolidine - Aralkylamine - Carboxylic acid imide, n-substituted - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Pyridine - Azole - Heteroaromatic compound - Pyrrolidine - Dicarboximide - Imidazole - Carboxylic acid imide - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Secondary amine - Nitrile - Carbonitrile - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - 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