tert-butyl 4-[1-(3-fluoranylpyridin-4-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(3-fluoranylpyridin-4-yl)piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(3-fluoro-4-pyridyl)piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3-fluoro-4-pyridinyl)-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(3-fluoropyridin-4-yl)piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-fluoro-4-pyridyl)isonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29FN4O3 MolecularWeight: 392.467663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=C(C=NC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=C(C=NC=C3)F

InChI

InChI=1S/C20H29FN4O3/c1-20(2,3)28-19(27)25-12-10-24(11-13-25)18(26)15-5-8-23(9-6-15)17-4-7-22-14-16(17)21/h4,7,14-15H,5-6,8-13H2,1-3H3