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

Systemtic Name: tert-butyl 4-[(3-cyanopyridin-2-yl)amino]-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[(3-cyano-2-pyridyl)amino]-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[(3-cyano-2-pyridinyl)amino]-2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-cyanopyridin-2-yl)amino]-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[(3-cyano-2-pyridyl)amino]-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H26N6O3 MolecularWeight: 410.46954

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O3/c1-21(2,3)30-20(29)27-13-15(25-18-14(11-22)6-4-8-24-18)10-17(27)19(28)26-9-5-7-16(26)12-23/h4,6,8,15-17H,5,7,9-10,13H2,1-3H3,(H,24,25)