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Structure Information
Structure

Compound Identification

SMILES

ClC1=NC=C(C=C1)[C@H]1[C@@H]2CC[C@H]([C@@H]1C#N)N2CC1=CC=CC=C1

InChIKey

InChIKey=UIQKEENHGAWHIN-MJQMVNBJSA-N

Formula

C19H18ClN3

Mass

323.82

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Epibatidine analogues

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Epibatidine analogues

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Epibatidine-skeleton - Pyrrolidinylpyridine - Benzylamine - Phenylmethylamine - 2-halopyridine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyridine - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Nitrile - Carbonitrile - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as epibatidine analogues. These are compounds containing an epibatidine moiety, with a structure characterized by a 2-chloropyridine moiety connected to an 7-azabicyclo[2.2.1]heptane in exo position.

External Descriptors

Not available

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