Compound Identification
SMILES
CC(=O)N(NCC1=CC=CC=C1Cl)[C@@H](CCCCN\C([O-])=C(\[N+]#N)C(F)(F)F)COC(=O)NC1=CC2=CC=CC=C2C=N1
InChIKey
InChIKey=WJHIAQXIYMBXIZ-PSCYQSDVSA-N
Formula
C28H29ClF3N7O4
Mass
620.03
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
Chlorobenzenes Pyridines and derivatives Aryl chlorides Imidolactams Acetamides Carbamate esters Heteroaromatic compounds Carboxylic acid hydrazides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds Alkyl fluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Acetamide - Carbamic acid ester - Carboxylic acid hydrazide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic salt - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - 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