Structure Information
Structure

Compound Identification

SMILES

[Cl-].CC1=CC(C)=C(N2C=C[N+](=C2)C2N=C(NC(=O)N2C([O-])=O)[N+]2=CN(C=C2)C2=C(C)C=C(C)C=C2C)C(C)=C1

InChIKey

InChIKey=ZWBMSULXGFQJPM-UHFFFAOYSA-N

Formula

C28H30ClN7O3

Mass

548.04

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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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

1-phenylimidazole - Triazinone - Monocyclic benzene moiety - N-substituted imidazole - 1,3,5-triazine - Triazine - Benzenoid - Heteroaromatic compound - Carbamic acid - Carbamic acid derivative - Ortho amide - Urea - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic salt - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Imine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Aromatic heteromonocyclic 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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