N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl]-2-phenyl-propanamide

Systemtic Name: N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-yl-methyl]-2-phenyl-propanamide Openeye Name: N-[(5-ethylquinuclidin-2-yl)-(4-quinolyl)methyl]-2-phenyl-propanamide CAS Name: N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(4-quinolinyl)methyl]-2-phenylpropanamide IUPAC Name: N-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethyl]-2-phenylpropanamide Traditional Name: N-[(5-ethylquinuclidin-2-yl)-(4-quinolyl)methyl]-2-phenyl-propionamide Formula: C28H33N3O MolecularWeight: 427.58112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)NC(=O)C(C)C5=CC=CC=C5

Isomeric SMILES

CCC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)NC(=O)C(C)C5=CC=CC=C5

InChI

InChI=1S/C28H33N3O/c1-3-20-18-31-16-14-22(20)17-26(31)27(24-13-15-29-25-12-8-7-11-23(24)25)30-28(32)19(2)21-9-5-4-6-10-21/h4-13,15,19-20,22,26-27H,3,14,16-18H2,1-2H3,(H,30,32)