ethyl 3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate

Systemtic Name: ethyl 3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: ethyl 3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-[4-(5-ethyl-2-pyrimidinyl)-1-piperazinyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-[4-(5-ethylpyrimidin-2-yl)piperazino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Formula: C20H31N5O2 MolecularWeight: 373.49244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(N=C1)N2CCN(CC2)C3CC4CCC(C3)N4C(=O)OCC

Isomeric SMILES

CCC1=CN=C(N=C1)N2CCN(CC2)C3CC4CCC(C3)N4C(=O)OCC

InChI

InChI=1S/C20H31N5O2/c1-3-15-13-21-19(22-14-15)24-9-7-23(8-10-24)18-11-16-5-6-17(12-18)25(16)20(26)27-4-2/h13-14,16-18H,3-12H2,1-2H3