Structure Information
Structure

Compound Identification

SMILES

[O-][n+]1c(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)c(C#N)[n+]([O-])c2cc(Cl)ccc12

InChIKey

InChIKey=KNYHEDQKQOTHEE-UHFFFAOYSA-N

Formula

C21H16ClF3N6O3

Mass

492.84

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazinanes

Subclass

Piperazines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpiperazines

Alternative Parents

N-arylpiperazines Trifluoromethylbenzenes Quinoxalines Piperazine carboxamides Aniline and substituted anilines Dialkylarylamines Aryl chlorides Pyrazinium compounds Pyrazines Heteroaromatic compounds Ureas Nitriles Azacyclic compounds Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organofluorides Organopnictogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylpiperazine - N-arylpiperazine - Diazanaphthalene - Quinoxaline - Trifluoromethylbenzene - Piperazine-1-carboxamide - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrazine - Pyrazinium - Benzenoid - Heteroaromatic compound - Tertiary amine - Urea - Carbonic acid derivative - Azacycle - Carbonitrile - Nitrile - Organic oxide - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Alkyl fluoride - Alkyl halide - Organopnictogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.

External Descriptors

Not available

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