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

Systemtic Name: tert-butyl 4-[4-(3-fluoranylpyridin-4-yl)piperazin-1-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-fluoro-4-pyridyl)piperazine-1-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[4-(3-fluoro-4-pyridinyl)-1-piperazinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-fluoropyridin-4-yl)piperazine-1-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-fluoro-4-pyridyl)piperazine-1-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H28FN5O3 MolecularWeight: 393.455723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CCN(CC2)C3=C(C=NC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)N2CCN(CC2)C3=C(C=NC=C3)F

InChI

InChI=1S/C19H28FN5O3/c1-19(2,3)28-18(27)25-12-10-24(11-13-25)17(26)23-8-6-22(7-9-23)16-4-5-21-14-15(16)20/h4-5,14H,6-13H2,1-3H3