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

Systemtic Name: tert-butyl 2-cyano-4-[(4-cyanophenyl)methylamino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-[(4-cyanophenyl)methylamino]-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-[(4-cyanophenyl)methylamino]-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-[(4-cyanophenyl)methylamino]-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-[(4-cyanobenzyl)amino]-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5O3/c1-22(2,3)31-21(30)28-14-18(27-13-17-8-6-16(12-24)7-9-17)11-23(28,15-25)20(29)19-5-4-10-26-19/h6-9,18-19,26-27H,4-5,10-11,13-14H2,1-3H3