6-(3,4-dihydro-2H-pyran-6-yl)-2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octane

Systemtic Name: 6-(3,4-dihydro-2H-pyran-6-yl)-2-ethynyl-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octane Openeye Name: 2-benzyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-ethynyl-3-(3-pyridyl)quinuclidine CAS Name: 6-(3,4-dihydro-2H-pyran-6-yl)-2-ethynyl-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octane IUPAC Name: 2-benzyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-ethynyl-3-pyridin-3-yl-1-azabicyclo[2.2.2]octane Traditional Name: 2-benzyl-6-(3,4-dihydro-2H-pyran-6-yl)-2-ethynyl-3-(3-pyridyl)quinuclidine Formula: C26H28N2O MolecularWeight: 384.51332

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)C3=CCCCO3)C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)C3=CCCCO3)C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N2O/c1-2-26(18-20-9-4-3-5-10-20)25(22-11-8-14-27-19-22)21-13-15-28(26)23(17-21)24-12-6-7-16-29-24/h1,3-5,8-12,14,19,21,23,25H,6-7,13,15-18H2