Compound Identification
SMILES
CCC1=CN=C(O1)C1=C(C)N=C(N2CCC(CC2)C(=O)NS(=O)(=O)CC2=NOC3=CC=CC=C23)C(=C1)C#N
InChIKey
InChIKey=DAQKYANULOKBQC-UHFFFAOYSA-N
Formula
C26H26N6O5S
Mass
534.59
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
Piperidinecarboxamides 3-pyridinecarbonitriles Dialkylarylamines 2,5-disubstituted oxazoles Aminopyridines and derivatives Methylpyridines Benzenoids Imidolactams Organosulfonic acids and derivatives Aminosulfonyl compounds Isoxazoles Heteroaromatic compounds Nitriles Azacyclic compounds Carboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzisoxazole - Piperidinecarboxamide - Dialkylarylamine - 3-pyridinecarbonitrile - 2,5-disubstituted 1,3-oxazole - Aminopyridine - Methylpyridine - Piperidine - Pyridine - Benzenoid - Imidolactam - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azole - Oxazole - Isoxazole - Oxacycle - Azacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Amine - 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