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

Systemtic Name: ethyl 3-[[4-(3-cyanopyridin-2-yl)piperazin-1-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: ethyl 3-[[4-(3-cyano-2-pyridyl)piperazin-1-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-[[4-(3-cyano-2-pyridinyl)-1-piperazinyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3-cyanopyridin-2-yl)piperazin-1-yl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-[[4-(3-cyano-2-pyridyl)piperazino]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2CCC1CC(C2)CN3CCN(CC3)C4=C(C=CC=N4)C#N

Isomeric SMILES

CCOC(=O)N1C2CCC1CC(C2)CN3CCN(CC3)C4=C(C=CC=N4)C#N

InChI

InChI=1S/C21H29N5O2/c1-2-28-21(27)26-18-5-6-19(26)13-16(12-18)15-24-8-10-25(11-9-24)20-17(14-22)4-3-7-23-20/h3-4,7,16,18-19H,2,5-6,8-13,15H2,1H3