Structure Information
Structure

Compound Identification

SMILES

C[C@@]12OC(=N)[C@](C#N)([C@H]1C1=CC=CC=C1)C(C#N)(C#N)[C@@H](O2)C1=CC(F)=CC=C1

InChIKey

InChIKey=HYQYXMBFHQUQBX-RUOSDFBUSA-N

Formula

C22H15FN4O2

Mass

386.386

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Dibenzylbutane lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzylbutane lignans

Alternative Parents

Ketals Fluorobenzenes 1,3-dioxepanes Oxanes Aryl fluorides Oxolanes Imidoesters Oxacyclic compounds Nitriles Organopnictogen compounds Organofluorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzylbutane lignan skeleton - 1,3-dioxepane - Ketal - Dioxepane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Oxolane - Imido ester - Acetal - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.

External Descriptors

Not available

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