Compound Identification
SMILES
CC1=CC(=O)N2C(CCN3CCC(CC3)C3=NOC4=C3C=CC(F)=C4)=CSC2=N1
InChIKey
InChIKey=KCSRFWMYDCXHKW-UHFFFAOYSA-N
Formula
C21H21FN4O2S
Mass
412.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzisoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzisoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzisoxazoles
Alternative Parents
Aralkylamines Pyrimidones Aryl fluorides Piperidines Benzenoids Thiazoles Heteroaromatic compounds Isoxazoles Lactams Trialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Pyrimidone - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - Pyrimidine - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Isoxazole - Tertiary aliphatic amine - Tertiary amine - Lactam - Oxacycle - Azacycle - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzisoxazoles. These are aromatic compounds containing a benzene ring fused to an isoxazole ring. Isoxazole is five-membered ring with three carbon atoms, and an oxygen atom next to a nitrogen atom.
External Descriptors
Not available