N-(1,7-dipyridin-3-ylheptan-4-yl)-N-(phenylmethyl)-1-azabicyclo[2.2.2]octane-2-carboxamide

Systemtic Name: N-(1,7-dipyridin-3-ylheptan-4-yl)-N-(phenylmethyl)-1-azabicyclo[2.2.2]octane-2-carboxamide Openeye Name: N-benzyl-N-[4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl]quinuclidine-2-carboxamide CAS Name: N-[1,7-bis(3-pyridinyl)heptan-4-yl]-N-(phenylmethyl)-1-azabicyclo[2.2.2]octane-2-carboxamide IUPAC Name: N-benzyl-N-(1,7-dipyridin-3-ylheptan-4-yl)-1-azabicyclo[2.2.2]octane-2-carboxamide Traditional Name: N-benzyl-N-[4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl]quinuclidine-2-carboxamide Formula: C32H40N4O MolecularWeight: 496.6862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1CC2C(=O)N(CC3=CC=CC=C3)C(CCCC4=CN=CC=C4)CCCC5=CN=CC=C5

Isomeric SMILES

C1CN2CCC1CC2C(=O)N(CC3=CC=CC=C3)C(CCCC4=CN=CC=C4)CCCC5=CN=CC=C5

InChI

InChI=1S/C32H40N4O/c37-32(31-22-26-16-20-35(31)21-17-26)36(25-29-8-2-1-3-9-29)30(14-4-10-27-12-6-18-33-23-27)15-5-11-28-13-7-19-34-24-28/h1-3,6-9,12-13,18-19,23-24,26,30-31H,4-5,10-11,14-17,20-22,25H2