tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(3,4-dicyanophenyl)amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-cyanopyrrolidin-1-yl)carbonyl-4-[(3,4-dicyanophenyl)amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(3,4-dicyanoanilino)pyrrolidine-1-carboxylate CAS Name: 2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-4-(3,4-dicyanoanilino)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-cyanopyrrolidine-1-carbonyl)-4-(3,4-dicyanoanilino)pyrrolidine-1-carboxylate Traditional Name: 2-(2-cyanopyrrolidine-1-carbonyl)-4-(3,4-dicyanoanilino)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O3/c1-23(2,3)32-22(31)29-14-18(27-17-7-6-15(11-24)16(9-17)12-25)10-20(29)21(30)28-8-4-5-19(28)13-26/h6-7,9,18-20,27H,4-5,8,10,14H2,1-3H3