Structure Information
Structure

Compound Identification

SMILES

CCC1=C(C=C(C=C1)C(F)(F)F)C1=C(N(C)C(=C1)C1=C2C=CNC2=NC=N1)C(N)=O

InChIKey

InChIKey=BXMANWMUJJUHIP-UHFFFAOYSA-N

Formula

C21H18F3N5O

Mass

413.404

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Substituted pyrroles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrroles

Alternative Parents

Trifluoromethylbenzenes Pyrrolo[2,3-d]pyrimidines Pyrrole carboxamides 2-heteroaryl carboxamides Pyrimidines and pyrimidine derivatives N-methylpyrroles Heteroaromatic compounds Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpyrrole - Trifluoromethylbenzene - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - 2-heteroaryl carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Benzenoid - Pyrimidine - N-methylpyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.

External Descriptors

Not available

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