Compound Identification
SMILES
CC1=C(CN2CCC3=C(C=CC(OC(C)(C)C(O)=O)=C3)C2=O)SC(=N1)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=GKHZIVLDNNWDTF-UHFFFAOYSA-N
Formula
C25H23F3N2O4S
Mass
504.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolones and derivatives
Alternative Parents
Phenoxyacetic acid derivatives Trifluoromethylbenzenes Tetrahydroisoquinolines Phenol ethers 2,4,5-trisubstituted thiazoles Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Phenoxyacetate - Trifluoromethylbenzene - Tetrahydroisoquinoline - 2,4,5-trisubstituted 1,3-thiazole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Azacycle - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors
Not available