Structure Information
Structure

Compound Identification

SMILES

CCC[N@+]1(C)C=NC2=C(N(C)C(=N2)C2=CN(CC3=CC(=CC=C3)C(F)(F)F)N=C2)C1=O

InChIKey

InChIKey=ILXMRRLZQLMFEP-SSEXGKCCSA-N

Formula

C21H22F3N6O

Mass

431.443

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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 heteropolycyclic compounds

Substituents

Trifluoromethylbenzene - Imidazopyrimidine - Purine - N-substituted imidazole - Azole - Imidazole - Pyrazole - Quaternary ammonium salt - Heteroaromatic compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Amidine - Organic 1,3-dipolar compound - Carboxylic acid amidine - Carboxylic acid derivative - Hydrocarbon derivative - Alkyl fluoride - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic 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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