tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[[3-(trifluoromethyl)pyridin-2-yl]amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[[3-(trifluoromethyl)pyridin-2-yl]amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[[3-(trifluoromethyl)-2-pyridyl]amino]pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-[[3-(trifluoromethyl)-2-pyridinyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-[[3-(trifluoromethyl)pyridin-2-yl]amino]pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-4-[[3-(trifluoromethyl)-2-pyridyl]amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H26F3N5O3 MolecularWeight: 453.45805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26F3N5O3/c1-20(2,3)32-19(31)29-12-13(27-17-15(21(22,23)24)7-4-8-26-17)10-16(29)18(30)28-9-5-6-14(28)11-25/h4,7-8,13-14,16H,5-6,9-10,12H2,1-3H3,(H,26,27)