Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC(NC(=O)N2CCC(CC2)C2=NC(=NO2)C2=CC=C(Cl)C=C2)=C1

InChIKey

InChIKey=SALUEILUPXBSEO-UHFFFAOYSA-N

Formula

C21H21ClN4O3

Mass

412.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Oxadiazoles

Intermediate Tree Nodes

1,2,4-oxadiazoles

Direct Parent

Phenyloxadiazoles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenyl-1,2,4-oxadiazole - N-phenylurea - 1-piperidinecarboxamide - Piperidinecarboxamide - Methoxyaniline - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - Aryl chloride - Benzenoid - Piperidine - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Urea - Oxacycle - Azacycle - Ether - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.

External Descriptors

Not available

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