Compound Identification
SMILES
COC1=C(C=C2C=CN=C(NCC3=CC(C=CC3=O)=C(N)N)C2=C1)C(=O)N1CCCC1
InChIKey
InChIKey=ILSCUPIXVLUGCC-UHFFFAOYSA-N
Formula
C23H25N5O3
Mass
419.485
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
P-quinomethanes N-acylpyrrolidines Anisoles Aminopyridines and derivatives Alkyl aryl ethers Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Ketene acetals Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Anisole - N-acylpyrrolidine - P-quinomethane - Phenol ether - Quinomethane - Alkyl aryl ether - Aminopyridine - Imidolactam - Pyridine - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Cyclic ketone - Carboxamide group - Ketone - Ketene acetal or derivatives - Azacycle - Carboxylic acid derivative - Ether - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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