Structure Information
Structure

Compound Identification

SMILES

CC1=C(Cl)C=C(NC(=O)N2CCC(CC2)C2=NC(=NO2)C2=CC(Cl)=CC=C2)C=C1

InChIKey

InChIKey=LRANPNJYUKBMLH-UHFFFAOYSA-N

Formula

C21H20Cl2N4O2

Mass

431.32

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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 - Chlorobenzene - Halobenzene - Toluene - Benzenoid - Aryl halide - Piperidine - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Urea - Azacycle - Oxacycle - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - 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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