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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCCC2C#N)NC3=CC=CC=C3C#N

InChI

InChI=1S/C22H27N5O3/c1-22(2,3)30-21(29)27-14-16(25-18-9-5-4-7-15(18)12-23)11-19(27)20(28)26-10-6-8-17(26)13-24/h4-5,7,9,16-17,19,25H,6,8,10-11,14H2,1-3H3