Structure Information
Structure

Compound Identification

SMILES

CN1CCC(CC1)OC1=NC=CC(=N1)N1CC2=C(C1)C(NC(=O)C1=CC=C(F)C=C1)=NN2

InChIKey

InChIKey=SITPYYKTFZOHBJ-UHFFFAOYSA-N

Formula

C22H24FN7O2

Mass

437.479

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Pyrrolopyrazole - Dialkylarylamine - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aminopyrimidine - Aryl halide - Aryl fluoride - Piperidine - Pyrimidine - Imidolactam - Pyrrole - Pyrazole - Azole - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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