Compound Identification
SMILES
FC(F)(F)C1=CC(=CC=C1)N1C(=O)\C(=C\NC2=NC(=CS2)C2=CC=CC=C2)C2=CC=CC=C2C1=O
InChIKey
InChIKey=BFHCLWJPIQZSKM-KGENOOAVSA-N
Formula
C26H16F3N3O2S
Mass
491.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1,3-isoquinolinediones
Intermediate Tree Nodes
Not available
Direct Parent
1,3-isoquinolinediones
Alternative Parents
Isoquinolones and derivatives Trifluoromethylbenzenes Tetrahydroisoquinolines 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles N-substituted carboxylic acid imides Vinylogous amides Heteroaromatic compounds Dicarboximides Azacyclic compounds Enamines Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Trifluoromethylbenzene - Tetrahydroisoquinoline - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - 1,3-thiazol-2-amine - Benzenoid - Azole - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Thiazole - Vinylogous amide - Enamine - Carboxylic acid derivative - Azacycle - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.
External Descriptors
Not available