Structure Information
Structure

Compound Identification

SMILES

CC(C)OC(=O)N1CCC(CC1)OC1=NC=NC2=C1C=NN2C1=C(F)C=C(C=C1)C#N

InChIKey

InChIKey=NZGHDYYFDAXHPC-UHFFFAOYSA-N

Formula

C21H21FN6O3

Mass

424.436

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Pyrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrazoles

Alternative Parents

Pyrazolo[3,4-d]pyrimidines Piperidinecarboxylic acids Benzonitriles Alkyl aryl ethers Fluorobenzenes Pyrimidines and pyrimidine derivatives Aryl fluorides Carbamate esters Heteroaromatic compounds Tertiary amines Nitriles Azacyclic compounds Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylpyrazole - Pyrazolo[3,4-d]pyrimidine - Piperidinecarboxylic acid - Pyrazolopyrimidine - Benzonitrile - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Piperidine - Carbamic acid ester - Heteroaromatic compound - Tertiary amine - Ether - Azacycle - Carbonitrile - Nitrile - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.

External Descriptors

Not available

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