Compound Identification
SMILES
CC(C)(C)c1cc(C(=O)N2C[C@H]3C[C@@H]2c2c(O)n(-c4cnc(C#N)c5ccccc45)c(=O)n32)n(Cc2ccccc2)n1
InChIKey
InChIKey=WHXYUZCXCDLJMK-HYBUGGRVSA-N
Formula
C32H29N7O3
Mass
559.63
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
Pyrazole-5-carboxamides N-acylpyrrolidines 2-heteroaryl carboxamides Pyridines and derivatives N-substituted imidazoles Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - 2-heteroaryl carboxamide - N-acylpyrrolidine - Pyrazole-5-carboxamide - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Pyrazole - Pyrrolidine - Tertiary carboxylic acid amide - Urea - Carboxamide group - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Cyanide - 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