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

Systemtic Name: tert-butyl 4-[bis[(4-cyanophenyl)methyl]amino]-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[bis[(4-cyanophenyl)methyl]amino]-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[bis[(4-cyanophenyl)methyl]amino]-2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[bis[(4-cyanophenyl)methyl]amino]-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[bis(4-cyanobenzyl)amino]-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C31H34N6O3 MolecularWeight: 538.64006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)N(CC3=CC=C(C=C3)C#N)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)N(CC3=CC=C(C=C3)C#N)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C31H34N6O3/c1-31(2,3)40-30(39)37-21-27(15-28(37)29(38)36-14-4-5-26(36)18-34)35(19-24-10-6-22(16-32)7-11-24)20-25-12-8-23(17-33)9-13-25/h6-13,26-28H,4-5,14-15,19-21H2,1-3H3