tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-(pyridin-3-ylmethylamino)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-(pyridin-3-ylmethylamino)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(3-pyridylmethylamino)pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-(3-pyridinylmethylamino)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(pyridin-3-ylmethylamino)pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-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(CC1C(=O)N2CCCC2C#N)NCC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NCC3=CN=CC=C3

InChI

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