Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(C=C1)C(=O)NC1=CC(=NC=C1)N1CCCC1)C1=CC2=C(C=C1)C(=NO2)C1CCNCC1

InChIKey

InChIKey=XCBIXMKSOYTTJH-UHFFFAOYSA-N

Formula

C29H31N5O2

Mass

481.6

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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

Benzamide - Benzisoxazole - Benzoic acid or derivatives - P-toluamide - Toluamide - Benzoyl - Dialkylarylamine - Aminopyridine - Aralkylamine - Toluene - Monocyclic benzene moiety - Piperidine - Imidolactam - Benzenoid - Pyridine - Azole - Isoxazole - Heteroaromatic compound - Pyrrolidine - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Azacycle - Oxacycle - Secondary aliphatic amine - Carboxylic acid derivative - Secondary amine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen 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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