tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-(pyridin-4-ylcarbonylamino)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-(pyridin-4-ylcarbonylamino)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-[[oxo(pyridin-4-yl)methyl]amino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-4-isonicotinamido-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC(=O)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C21H27N5O4/c1-21(2,3)30-20(29)26-13-15(24-18(27)14-6-8-23-9-7-14)11-17(26)19(28)25-10-4-5-16(25)12-22/h6-9,15-17H,4-5,10-11,13H2,1-3H3,(H,24,27)