Structure Information
Structure

Compound Identification

SMILES

CC1=CC(NC(=O)N2CCC[C@H]2C2=NC(=NO2)C2=CC=CC=C2)=CC=C1

InChIKey

InChIKey=XQSWKEDTXSIYQZ-KRWDZBQOSA-N

Formula

C20H20N4O2

Mass

348.406

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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 - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-1-carboxamide - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrolidine - Carbonic acid derivative - Urea - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - 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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