tert-butyl 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[4-(trifluoromethyl)pyrimidin-2-yl]isonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28F3N5O3 MolecularWeight: 443.46323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C20H28F3N5O3/c1-19(2,3)31-18(30)28-12-10-26(11-13-28)16(29)14-5-8-27(9-6-14)17-24-7-4-15(25-17)20(21,22)23/h4,7,14H,5-6,8-13H2,1-3H3