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

Systemtic Name: ethyl 3-[4-(5-ethanoylpyridin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate Openeye Name: ethyl 3-[4-(5-acetyl-2-pyridyl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate CAS Name: 3-[4-(5-acetyl-2-pyridinyl)-1-piperazinyl]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(5-acetylpyridin-2-yl)piperazin-1-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate Traditional Name: 3-[4-(5-acetyl-2-pyridyl)piperazino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid ethyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-3-28-21(27)25-17-5-6-18(25)13-19(12-17)23-8-10-24(11-9-23)20-7-4-16(14-22-20)15(2)26/h4,7,14,17-19H,3,5-6,8-13H2,1-2H3