Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)C1C2=C(OC3=C1C(=O)CC(C)(C)C3)N=CN1N=C(N=C21)C1=CC=CC=C1Cl

InChIKey

InChIKey=KMARLRBNEKJHOC-UHFFFAOYSA-N

Formula

C28H25ClN4O4

Mass

516.98

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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-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenyl-1,2,4-triazole - Pyranopyrimidine - Dimethoxybenzene - O-dimethoxybenzene - Triazolopyrimidine - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Halobenzene - Alkyl aryl ether - Chlorobenzene - Cyclohexenone - Pyrimidine - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Vinylogous ester - Heteroaromatic compound - Ketone - Oxacycle - Ether - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

External Descriptors

Not available

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