Compound Identification
SMILES
COC1=NC=C2[C@@H]3[C@H]4CC[C@@H]([C@@H]3CCC2=C1)N4C(=O)OC(C)(C)C
InChIKey
InChIKey=YBVYERHQAMJDHG-MKVSYHDVSA-N
Formula
C19H26N2O3
Mass
330.428
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
Isoindolines Pyrrolidine carboxylic acids Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Epibatidine-skeleton - Isoindoline - Isoindole or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Pyridine - Carbamic acid ester - Pyrrolidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - 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