Compound Identification
SMILES
O[C@@H](CNCC1=CC=C(Cl)C=C1)COC1=CC=CC(=C1)C1=NOC2=C1C=CC(F)=C2
InChIKey
InChIKey=PUYYDFFAUSSJPW-IBGZPJMESA-N
Formula
C23H20ClFN2O3
Mass
426.87
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
Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Alkyl aryl ethers Aralkylamines Chlorobenzenes Aryl chlorides Aryl fluorides Isoxazoles Heteroaromatic compounds 1,2-aminoalcohols Secondary alcohols Azacyclic compounds Oxacyclic compounds Dialkylamines Hydrocarbon derivatives Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Isoxazole - Heteroaromatic compound - Azole - 1,2-aminoalcohol - Secondary alcohol - Oxacycle - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organochloride - Amine - Organohalogen 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