tert-butyl 2-cyano-4-(pyridin-3-ylmethylamino)-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-4-(pyridin-3-ylmethylamino)-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-(3-pyridylmethylamino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-2-[oxo(2-pyrrolidinyl)methyl]-4-(3-pyridinylmethylamino)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-(pyridin-3-ylmethylamino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-2-prolyl-4-(3-pyridylmethylamino)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NCC3=CN=CC=C3

InChI

InChI=1S/C21H29N5O3/c1-20(2,3)29-19(28)26-13-16(25-12-15-6-4-8-23-11-15)10-21(26,14-22)18(27)17-7-5-9-24-17/h4,6,8,11,16-17,24-25H,5,7,9-10,12-13H2,1-3H3