Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@@H]1[C@H]2CC[C@@H]([C@@H]1C1=CN=C(Cl)C=C1)N2CC1=CC=CC=C1

InChIKey

InChIKey=DNFSZTJVYGVXMT-KVPLUYHFSA-N

Formula

C21H23ClN2O2

Mass

370.88

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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 - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 2-halopyridine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - 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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