Compound Identification
SMILES
FC1=CC2=C(C=C1)C(=NO2)C1CCN(CCC2CCC(CC2)NC(=O)C2=CN=C(N=C2)N2CCOCC2)CC1
InChIKey
InChIKey=XVKCBMHQXDTJBS-UHFFFAOYSA-N
Formula
C29H37FN6O3
Mass
536.652
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
Pyrimidinecarboxamides Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines Piperidines Morpholines Benzenoids Aryl fluorides Isoxazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Pyrimidinecarboxamide - Pyrimidine-5-carboxylic acid or derivatives - Dialkylarylamine - Aminopyrimidine - Aralkylamine - Aryl fluoride - Aryl halide - Morpholine - Oxazinane - Piperidine - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Isoxazole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Amine - Organofluoride - Organic nitrogen compound - 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