Structure Information
Structure

Compound Identification

SMILES

CN(C)CCC[C@@]1(OCC2=C1C=CC(\C=C\C1=CC=C(C=C1)C#N)=C2)C1=CC=C(F)C=C1

InChIKey

InChIKey=NDBCFJNXVCOSEG-BBELGVGPSA-N

Formula

C28H27FN2O

Mass

426.535

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Stilbene - Phenylbutylamine - Isocoumaran - Benzonitrile - Styrene - Fluorobenzene - Aralkylamine - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Cyanide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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