3-[3-[4-(2-quinolin-5-ylethynyl)phenoxy]propyl]-3-azabicyclo[2.2.2]octan-2-one hydrochloride

Systemtic Name: 3-[3-[4-(2-quinolin-5-ylethynyl)phenoxy]propyl]-3-azabicyclo[2.2.2]octan-2-one hydrochloride Openeye Name: 3-[3-[4-[2-(5-quinolyl)ethynyl]phenoxy]propyl]-3-azabicyclo[2.2.2]octan-2-one hydrochloride CAS Name: 3-[3-[4-[2-(5-quinolinyl)ethynyl]phenoxy]propyl]-3-azabicyclo[2.2.2]octan-2-one hydrochloride IUPAC Name: 3-[3-[4-(2-quinolin-5-ylethynyl)phenoxy]propyl]-3-azabicyclo[2.2.2]octan-2-one hydrochloride Traditional Name: 3-[3-[4-[2-(5-quinolyl)ethynyl]phenoxy]propyl]-3-azabicyclo[2.2.2]octan-2-one hydrochloride Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C(=O)N2CCCOC3=CC=C(C=C3)C#CC4=C5C=CC=NC5=CC=C4.Cl

Isomeric SMILES

C1CC2CCC1C(=O)N2CCCOC3=CC=C(C=C3)C#CC4=C5C=CC=NC5=CC=C4.Cl

InChI

InChI=1S/C27H26N2O2.ClH/c30-27-22-11-13-23(14-12-22)29(27)18-3-19-31-24-15-8-20(9-16-24)7-10-21-4-1-6-26-25(21)5-2-17-28-26;/h1-2,4-6,8-9,15-17,22-23H,3,11-14,18-19H2;1H