tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-[[4-(trifluoromethyl)-2-pyrimidinyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-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(CC1C(=O)N2CCCC2C#N)NC3=NC=CC(=N3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=NC=CC(=N3)C(F)(F)F

InChI

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