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

Systemtic Name: tert-butyl 4-[(4-cyanophenyl)amino]-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(4-cyanoanilino)-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(4-cyanoanilino)-2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-cyanoanilino)-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(4-cyanoanilino)-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H27N5O3 MolecularWeight: 409.48148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H27N5O3/c1-22(2,3)30-21(29)27-14-17(25-16-8-6-15(12-23)7-9-16)11-19(27)20(28)26-10-4-5-18(26)13-24/h6-9,17-19,25H,4-5,10-11,14H2,1-3H3