Compound Identification
SMILES
Br.FC1=CC2=C(C=C1)C(CCCN1CCC(CC1)C1=NOC3=CC=CC=C13)=NO2
InChIKey
InChIKey=BVIQATQGXODDBD-UHFFFAOYSA-N
Formula
C22H23BrFN3O2
Mass
460.347
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 Piperidines Benzenoids Aryl fluorides Isoxazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Hydrobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Aralkylamine - Aryl fluoride - Aryl halide - Piperidine - Benzenoid - Heteroaromatic compound - Azole - Isoxazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrobromide - 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