Structure Information
Structure

Compound Identification

SMILES

OC1=C(CN2CCCCC2)C=C(C=C2CCCC(=CC3=CC=C(Cl)C=C3)C2=O)C=C1

InChIKey

InChIKey=VGGDXIXJVYYRAS-UHFFFAOYSA-N

Formula

C26H28ClNO2

Mass

421.97

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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

N-benzylpiperidines Phenylmethylamines Benzylamines Chlorobenzenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Trialkylamines Cyclic ketones Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - N-benzylpiperidine - Benzylpiperidine - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Piperidine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - Tertiary aliphatic amine - Tertiary amine - Cyclic ketone - Ketone - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Amine - Carbonyl group - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic 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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