tert-butyl 4-[(4-chlorophenyl)methylamino]-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-chlorophenyl)methylamino]-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-chlorophenyl)methylamino]-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[(4-chlorophenyl)methylamino]-2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-chlorophenyl)methylamino]-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[(4-chlorobenzyl)amino]-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H29ClN4O3 MolecularWeight: 432.94366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H29ClN4O3/c1-22(2,3)30-21(29)27-14-17(25-13-15-6-8-16(23)9-7-15)11-19(27)20(28)26-10-4-5-18(26)12-24/h6-9,17-19,25H,4-5,10-11,13-14H2,1-3H3