Structure Information
Structure

Compound Identification

SMILES

CC1(C)CCN1[C@H]1CC[C@@H]([C@H](C1)C#N)N1C=C(C(N)=O)C(NC2=CC=C(C=C2)C(F)(F)F)=N1

InChIKey

InChIKey=NKKYNIFYDNQNQY-LJHODMEESA-N

Formula

C23H27F3N6O

Mass

460.505

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Trifluoromethylbenzenes

Intermediate Tree Nodes

Not available

Direct Parent

Trifluoromethylbenzenes

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Trifluoromethylbenzene - Pyrazole-4-carboxamide - Aniline or substituted anilines - Cyclohexylamine - Imidolactam - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Amino acid or derivatives - Azetidine - Carboxamide group - Primary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organohalogen compound - Amine - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Cyanide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.

External Descriptors

Not available

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