tert-butyl 2-cyano-4-[[4-cyano-2,6-bis(fluoranyl)phenyl]amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-cyano-4-[[4-cyano-2,6-bis(fluoranyl)phenyl]amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-(4-cyano-2,6-difluoro-anilino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-(4-cyano-2,6-difluoroanilino)-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-(4-cyano-2,6-difluoroanilino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-(4-cyano-2,6-difluoro-anilino)-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H25F2N5O3 MolecularWeight: 445.462406

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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=C3F)C#N)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1(C#N)C(=O)C2CCCN2)NC3=C(C=C(C=C3F)C#N)F

InChI

InChI=1S/C22H25F2N5O3/c1-21(2,3)32-20(31)29-11-14(28-18-15(23)7-13(10-25)8-16(18)24)9-22(29,12-26)19(30)17-5-4-6-27-17/h7-8,14,17,27-28H,4-6,9,11H2,1-3H3