Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC=C1C1NC(C2=CC=CC=C2Cl)C(C#N)(C#N)C1(C#N)C#N

InChIKey

InChIKey=XIEYOUHIQAGYNM-UHFFFAOYSA-N

Formula

C20H11Cl2N5

Mass

392.24

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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

Phenylpyrrolidines Chlorobenzenes Aralkylamines Aryl chlorides Pyrroles Nitriles Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Dibenzylbutane lignan skeleton - 2-phenylpyrrolidine - Chlorobenzene - Aralkylamine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Pyrrole - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Carbonitrile - Nitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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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