Compound Identification
SMILES
CCN1N=C(C=C(NC2=CN=CC3=CC=CC=C23)C1=O)C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=ICTPKKLPYCFGBQ-UHFFFAOYSA-N
Formula
C23H20N4O3
Mass
400.438
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
Benzyloxycarbonyls Pyridazinones Aminopyridines and derivatives Aminopyridazines Primary aromatic amines Heteroaromatic compounds Lactams Carboxylic acid esters Amino acids and derivatives Secondary amines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzyloxycarbonyl - Isoquinoline - Aminopyridazine - Aminopyridine - Pyridazinone - Monocyclic benzene moiety - Primary aromatic amine - Pyridazine - Pyridine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Lactam - Carboxylic acid ester - Carboxylic acid derivative - Secondary amine - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen 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