Compound Identification
SMILES
CC(C)(C)OC(=O)N[C@@H](CN1N=C(S\C1=N\C(O)=O)C1=CC2=CC(F)=NC=C2C=C1)CC1=CN=C(C=C1)C(F)(F)F
InChIKey
InChIKey=FDEHPNFUUBAFJJ-JXEJEFNKSA-N
Formula
C26H24F4N6O4S
Mass
592.57
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
2-halopyridines Benzenoids Aryl fluorides Thiadiazoles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - 2-halopyridine - Aryl fluoride - Aryl halide - Pyridine - Benzenoid - Azole - Heteroaromatic compound - Carbamic acid ester - Thiadiazole - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - 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