Structure Information
Structure

Compound Identification

SMILES

Cl.CN1C=C(CN2CCN([C@H](CC3=CC(C)=C(C)C=C3)C2)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C=N1

InChIKey

InChIKey=NUCQNWDHXRJJKW-GJFSDDNBSA-N

Formula

C27H29ClF6N4O

Mass

575.0

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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 - Benzamide - Benzoic acid or derivatives - Benzoyl - O-xylene - Xylene - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Azole - Heteroaromatic compound - Pyrazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrochloride - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Organooxygen compound - Alkyl halide - Amine - 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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