Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=NN(C2=C1CCN(C2=O)C1=CC=C(C=C1)C1(CN2CCCC2)CC1)C1=CC2=C(ON=C2N)C=C1

InChIKey

InChIKey=YCUYOIFXHNLFAX-UHFFFAOYSA-N

Formula

C28H29N7O3

Mass

511.586

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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 - Pyridinecarboxamide - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Aralkylamine - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Imidolactam - Azole - Isoxazole - Pyrazole - Pyrrolidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Lactam - Primary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Organic oxide - Amine - 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

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