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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Epibatidine analogues
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Epibatidine analogues
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Epibatidine analogues
Alternative Parents
Pyrrolidinylpyridines Pyrrolidine carboxylic acids Phenylmethylamines Benzylamines 2-halopyridines Aralkylamines N-alkylpyrrolidines Aryl chlorides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
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