tert-butyl 3-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]-3-piperidyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[[1-[4-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinyl]amino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]-3-piperidyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H30F3N5O3 MolecularWeight: 457.48981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2CCCN(C2)C3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NC2CCCN(C2)C3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C21H30F3N5O3/c1-20(2,3)32-19(31)29-11-4-6-14(12-29)17(30)26-15-7-5-10-28(13-15)18-25-9-8-16(27-18)21(22,23)24/h8-9,14-15H,4-7,10-13H2,1-3H3,(H,26,30)