1-azabicyclo[2.2.2]octan-3-yl 1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: quinuclidin-3-yl 1-(4-pyridyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 1-(4-pyridyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid quinuclidin-3-yl ester Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=NC=C5

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=NC=C5

InChI

InChI=1S/C22H25N3O2/c26-22(27-20-15-24-12-7-17(20)8-13-24)25-14-9-16-3-1-2-4-19(16)21(25)18-5-10-23-11-6-18/h1-6,10-11,17,20-21H,7-9,12-15H2