Structure Information
Structure

Compound Identification

SMILES

Cl.CN1C=C(C2=C1C=CC(F)=C2)C1=NNC(=O)N1C1=CN(CCCNCC2=CC=CC=C2)C2=C1C=C(F)C=C2

InChIKey

InChIKey=ONYPZSKTMOZYNM-UHFFFAOYSA-N

Formula

C29H27ClF2N6O

Mass

549.02

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Triazolones

Direct Parent

Aryl 1,2,4-triazolones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl 1,2,4-triazol-3-one - N-alkylindole - Indole - Indole or derivatives - Benzylamine - Phenylmethylamine - Aralkylamine - Aryl fluoride - Benzenoid - Substituted pyrrole - Aryl halide - Monocyclic benzene moiety - N-methylpyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Secondary amine - Secondary aliphatic amine - Organic oxide - Organohalogen compound - Organofluoride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aryl 1,2,4-triazolones. These are aromatic heterocyclic compounds containing a 1,2,4-triazolone moiety that is substituted at the 5-position with an aryl group.

External Descriptors

Not available

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