Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzisoxazoles

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzisoxazoles

Alternative Parents

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

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