Structure Information
Structure

Compound Identification

SMILES

FC1=CC(F)=C(C=C1)C(=O)CCC1=CC=C(NC2=NCCN2)C=C1

InChIKey

InChIKey=VWVSXLXCFBCNTF-UHFFFAOYSA-N

Formula

C18H17F2N3O

Mass

329.351

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Chalcones and dihydrochalcones

Intermediate Tree Nodes

Not available

Direct Parent

Retro-dihydrochalcones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Retro-dihydrochalcone - Alkyl-phenylketone - Butyrophenone - Phenylketone - Aryl ketone - Aryl alkyl ketone - Benzoyl - Aniline or substituted anilines - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl fluoride - Vinylogous halide - 2-imidazoline - Guanidine - Ketone - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as retro-dihydrochalcones. These are a form of normal dihydrochalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

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