Structure Information
Structure

Compound Identification

SMILES

CN1N=CC(C(=O)N[C@@H]2CCOC2)=C1C(=O)NC1=CC2=NC(=NN2C=C1)C1=CC=CC=C1

InChIKey

InChIKey=XWLIMFCSOQTQLT-MRXNPFEDSA-N

Formula

C22H21N7O3

Mass

431.456

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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 - Triazolopyridine - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Pyrazole-4-carboxamide - Monocyclic benzene moiety - Pyridine - Benzenoid - Oxolane - Pyrazole - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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