Structure Information
Structure

Compound Identification

SMILES

FC1=CC=CC2=C1CN1C=C(N=C1CN2C(=O)CC1=CN=CN1CC1=CC=C(C=C1)C#N)C1=CC=CC=C1Br

InChIKey

InChIKey=IEKFAAVNFMPFPG-UHFFFAOYSA-N

Formula

C30H22BrFN6O

Mass

581.449

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Imidazoles

Intermediate Tree Nodes

Substituted imidazoles

Direct Parent

Phenylimidazoles

Alternative Parents

1,4-benzodiazepines Benzonitriles Bromobenzenes N-substituted imidazoles Aryl fluorides Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Nitriles Azacyclic compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodiazepine - 1,4-benzodiazepine - 4-phenylimidazole - 5-phenylimidazole - Benzonitrile - Halobenzene - Bromobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organohalogen compound - Organobromide - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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