2-ethynyl-6-(morpholin-4-ylamino)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol

Systemtic Name: 2-ethynyl-6-(morpholin-4-ylamino)-2-(phenylmethyl)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Openeye Name: 2-benzyl-2-ethynyl-6-(morpholinoamino)-3-(3-pyridyl)quinuclidin-3-ol CAS Name: 2-ethynyl-6-(4-morpholinylamino)-2-(phenylmethyl)-3-(3-pyridinyl)-1-azabicyclo[2.2.2]octan-3-ol IUPAC Name: 2-benzyl-2-ethynyl-6-(morpholin-4-ylamino)-3-pyridin-3-yl-1-azabicyclo[2.2.2]octan-3-ol Traditional Name: 2-benzyl-2-ethynyl-6-(morpholinoamino)-3-(3-pyridyl)quinuclidin-3-ol Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C2CCN1C(C2)NN3CCOCC3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

Isomeric SMILES

C#CC1(C(C2CCN1C(C2)NN3CCOCC3)(C4=CN=CC=C4)O)CC5=CC=CC=C5

InChI

InChI=1S/C25H30N4O2/c1-2-24(18-20-7-4-3-5-8-20)25(30,22-9-6-11-26-19-22)21-10-12-29(24)23(17-21)27-28-13-15-31-16-14-28/h1,3-9,11,19,21,23,27,30H,10,12-18H2