Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(CNC2=NC(=NN2C(=O)C=CC2=CC=CC=C2Cl)C2=CC=C(C)C=C2)C=C1

InChIKey

InChIKey=LXGMBBAWPWZMFL-UHFFFAOYSA-N

Formula

C26H23ClN4O2

Mass

458.95

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid or derivatives - Phenyltriazole - Phenyl-1,2,4-triazole - Anisole - Benzylamine - Phenol ether - Styrene - Phenoxy compound - Methoxybenzene - Chlorobenzene - Toluene - Halobenzene - Alkyl aryl ether - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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