Compound Identification
SMILES
CC1=CC=C(C=C1)C1=CSC2=NC(C)=C(CCN3CCC(CC3)C3=NOC4=C3C=CC(F)=C4)C(=O)N12
InChIKey
InChIKey=WRTJOXGDIGMSMH-UHFFFAOYSA-N
Formula
C28H27FN4O2S
Mass
502.61
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
Toluenes Pyrimidones Aralkylamines Piperidines Aryl fluorides Thiazoles Isoxazoles Heteroaromatic compounds Trialkylamines Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Pyrimidone - Toluene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiazole - Azole - Isoxazole - Tertiary amine - Tertiary aliphatic amine - Lactam - Oxacycle - Azacycle - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - 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