Compound Identification
SMILES
CN(C)CC1=C(CC(=O)NC2=CC=C(F)C=C2)C=CC2=C1ON=C2CCC1CCN(CC1)C(=O)OC(C)(C)C
InChIKey
InChIKey=YHKNOZJVRVOBLS-UHFFFAOYSA-N
Formula
C30H39FN4O4
Mass
538.664
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
Piperidinecarboxylic acids Anilides N-arylamides Aralkylamines Fluorobenzenes Aryl fluorides Isoxazoles Heteroaromatic compounds Carbamate esters Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Piperidinecarboxylic acid - Anilide - N-arylamide - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Azole - Isoxazole - Heteroaromatic compound - Carbamic acid ester - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Carboxylic acid derivative - Amine - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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