Compound Identification
SMILES
CC(C(CCC1=NC=C(S1)C1=CC2=CC(F)=NC=C2C=C1)NC(=O)OC(C)(C)C)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=FBBZOGJMONJJEQ-UHFFFAOYSA-N
Formula
C29H29F4N3O2S
Mass
559.62
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
Trifluoromethylbenzenes Bicyclic monoterpenoids Aromatic monoterpenoids 2-halopyridines 2,5-disubstituted thiazoles Aryl fluorides Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-cymene - Trifluoromethylbenzene - Aromatic monoterpenoid - Monoterpenoid - Isoquinoline - Bicyclic monoterpenoid - 2,5-disubstituted 1,3-thiazole - 2-halopyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Thiazole - Carbamic acid ester - Azole - Azacycle - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organohalogen 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