tert-butyl 2-cyano-2-pyrrolidin-2-ylcarbonyl-4-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-2-pyrrolidin-2-ylcarbonyl-4-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-2-(pyrrolidine-2-carbonyl)-4-[[5-(trifluoromethyl)-2-pyridyl]amino]pyrrolidine-1-carboxylate CAS Name: 2-cyano-2-[oxo(2-pyrrolidinyl)methyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-(pyrrolidine-2-carbonyl)-4-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyrrolidine-1-carboxylate Traditional Name: 2-cyano-2-prolyl-4-[[5-(trifluoromethyl)-2-pyridyl]amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H26F3N5O3 MolecularWeight: 453.45805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H26F3N5O3/c1-19(2,3)32-18(31)29-11-14(28-16-7-6-13(10-27-16)21(22,23)24)9-20(29,12-25)17(30)15-5-4-8-26-15/h6-7,10,14-15,26H,4-5,8-9,11H2,1-3H3,(H,27,28)