tert-butyl 4-[(4-bromanyl-2-cyano-phenyl)amino]-2-cyano-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-bromanyl-2-cyano-phenyl)amino]-2-cyano-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(4-bromo-2-cyano-anilino)-2-cyano-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(4-bromo-2-cyanoanilino)-2-cyano-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-bromo-2-cyanoanilino)-2-cyano-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(4-bromo-2-cyano-anilino)-2-cyano-2-prolyl-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(CC1(C#N)C(=O)C2CCCN2)NC3=C(C=C(C=C3)Br)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=C(C=C(C=C3)Br)C#N

InChI

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