tert-butyl 2-cyano-2-pyrrolidin-2-ylcarbonyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-2-pyrrolidin-2-ylcarbonyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-2-(pyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate CAS Name: 2-cyano-2-[oxo(2-pyrrolidinyl)methyl]-4-[[4-(trifluoromethyl)-2-pyrimidinyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-(pyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate Traditional Name: 2-cyano-2-prolyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H25F3N6O3 MolecularWeight: 454.44611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=NC=CC(=N3)C(F)(F)F

InChI

InChI=1S/C20H25F3N6O3/c1-18(2,3)32-17(31)29-10-12(27-16-26-8-6-14(28-16)20(21,22)23)9-19(29,11-24)15(30)13-5-4-7-25-13/h6,8,12-13,25H,4-5,7,9-10H2,1-3H3,(H,26,27,28)