Structure Information
Structure

Compound Identification

SMILES

CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)N(CC2=CN(N=N2)C2=CC(Cl)=CC=C2)C2=CC=CC=C12

InChIKey

InChIKey=NDPQXPYAFMMINI-UHFFFAOYSA-N

Formula

C28H23ClN6O3

Mass

526.98

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,3-triazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenyl-1,2,3-triazole - Indole or derivatives - Halobenzene - Chlorobenzene - Cyclohexenone - Aryl halide - Benzenoid - Aryl chloride - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous ester - Tertiary carboxylic acid amide - Ketone - Lactam - Ketene acetal or derivatives - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organonitrogen compound - Organochloride - Organic oxygen compound - Cyanide - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,3-triazoles. These are organic compounds containing a 1,2,3-triazole substituted by a phenyl group.

External Descriptors

Not available

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