Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1C2(C)OC(=N)C1(C#N)C(C#N)(C#N)C(O2)C1=C(F)C=C(F)C=C1

InChIKey

InChIKey=RQEMBPVEPUXZDH-UHFFFAOYSA-N

Formula

C23H16F2N4O3

Mass

434.403

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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

Phenoxy compounds Anisoles Methoxybenzenes 1,3-dioxepanes Alkyl aryl ethers Fluorobenzenes Ketals Oxanes Aryl fluorides Oxolanes Imidoesters Nitriles Oxacyclic compounds Hydrocarbon derivatives Organofluorides Organopnictogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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