N-(1-phenyl-7-pyridin-3-yl-heptan-4-yl)-N-(pyridin-4-ylmethyl)-1-azabicyclo[2.2.2]octane-2-carboxamide

Systemtic Name: N-(1-phenyl-7-pyridin-3-yl-heptan-4-yl)-N-(pyridin-4-ylmethyl)-1-azabicyclo[2.2.2]octane-2-carboxamide Openeye Name: N-[1-(3-phenylpropyl)-4-(3-pyridyl)butyl]-N-(4-pyridylmethyl)quinuclidine-2-carboxamide CAS Name: N-[1-phenyl-7-(3-pyridinyl)heptan-4-yl]-N-(pyridin-4-ylmethyl)-1-azabicyclo[2.2.2]octane-2-carboxamide IUPAC Name: N-(1-phenyl-7-pyridin-3-ylheptan-4-yl)-N-(pyridin-4-ylmethyl)-1-azabicyclo[2.2.2]octane-2-carboxamide Traditional Name: N-[1-(3-phenylpropyl)-4-(3-pyridyl)butyl]-N-(4-pyridylmethyl)quinuclidine-2-carboxamide Formula: C32H40N4O MolecularWeight: 496.6862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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