tert-butyl 2-cyano-4-[(2-cyanophenyl)amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-4-[(2-cyanophenyl)amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-(2-cyanoanilino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-(2-cyanoanilino)-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-(2-cyanoanilino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-(2-cyanoanilino)-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=CC=CC=C3C#N

InChI

InChI=1S/C22H27N5O3/c1-21(2,3)30-20(29)27-13-16(26-17-8-5-4-7-15(17)12-23)11-22(27,14-24)19(28)18-9-6-10-25-18/h4-5,7-8,16,18,25-26H,6,9-11,13H2,1-3H3