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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)C(=O)N(CC3=CC=CC=C3)C(CCCC4=CN=CC=C4)CCCC5=CN=CC=C5

Isomeric SMILES

C1CN2CCC1C(C2)C(=O)N(CC3=CC=CC=C3)C(CCCC4=CN=CC=C4)CCCC5=CN=CC=C5

InChI

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