ethyl 3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: ethyl 3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: ethyl 3-[4-(4-cyano-2-pyridyl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-[4-(4-cyano-2-pyridinyl)-1-piperazinyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-cyanopyridin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-[4-(4-cyano-2-pyridyl)piperazino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CCC1CC(C2)N3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CCOC(=O)N1C2CCC1CC(C2)N3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C20H27N5O2/c1-2-27-20(26)25-16-3-4-17(25)13-18(12-16)23-7-9-24(10-8-23)19-11-15(14-21)5-6-22-19/h5-6,11,16-18H,2-4,7-10,12-13H2,1H3