Compound Identification
SMILES
CN(C[C@H](O)COC1=CC=C(C=C1)C1=NOC2=C1C=CC(F)=C2)C1CCCCC1
InChIKey
InChIKey=UTRAWWVCFCMAFH-IBGZPJMESA-N
Formula
C23H27FN2O3
Mass
398.478
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
Phenoxy compounds Phenol ethers Cyclohexylamines Alkyl aryl ethers Aryl fluorides Isoxazoles Heteroaromatic compounds Trialkylamines Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Cyclohexylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - 1,2-aminoalcohol - Oxacycle - Ether - Azacycle - Organooxygen compound - Organic nitrogen compound - Alcohol - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organofluoride - Organonitrogen 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