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

Systemtic Name: tert-butyl 4-[(4-bromanyl-2-cyano-phenyl)amino]-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(4-bromo-2-cyano-anilino)-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(4-bromo-2-cyanoanilino)-2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-bromo-2-cyanoanilino)-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(4-bromo-2-cyano-anilino)-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H26BrN5O3 MolecularWeight: 488.37754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN5O3/c1-22(2,3)31-21(30)28-13-16(26-18-7-6-15(23)9-14(18)11-24)10-19(28)20(29)27-8-4-5-17(27)12-25/h6-7,9,16-17,19,26H,4-5,8,10,13H2,1-3H3