Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC=C(CN2C=NC3=CN=C(C=C3C2=O)C(=O)NCC2=CC(F)=CC=C2)C=C1.OC(=O)C1=CC=C(CN2C=NC3=CN=C(C=C3C2=O)C(=O)NCC2=CC=C(C=C2)C(F)(F)F)C=C1

InChIKey

InChIKey=QEOQTQWQBWYTNL-UHFFFAOYSA-N

Formula

C47H34F4N8O8

Mass

914.831

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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

Not available

Substituents

Trifluoromethylbenzene - Pyrido[3,4-d]pyrimidine - Pyridopyrimidine - Benzoic acid or derivatives - Benzoic acid - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Halobenzene - Fluorobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Pyridine - Pyrimidine - Heteroaromatic compound - Lactam - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - 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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