Compound Identification
SMILES
FC1=CC2=C(C=C1)C(=NO2)C1CCN(C[C@@H]2CC3=C(C=CS3)C(=O)C2)CC1
InChIKey
InChIKey=UUWNMTNBWJAYKN-ZDUSSCGKSA-N
Formula
C21H21FN2O2S
Mass
384.47
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
Aryl alkyl ketones Aralkylamines Piperidines Benzenoids Aryl fluorides Thiophenes Isoxazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Aryl ketone - Aryl alkyl ketone - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - Benzenoid - Azole - Isoxazole - Thiophene - Heteroaromatic compound - Tertiary amine - Ketone - Tertiary aliphatic amine - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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