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

Systemtic Name: tert-butyl 2-cyano-4-[(4-cyano-2-fluoranyl-phenyl)amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-cyano-4-(4-cyano-2-fluoro-anilino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-cyano-4-(4-cyano-2-fluoroanilino)-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-4-(4-cyano-2-fluoroanilino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 2-cyano-4-(4-cyano-2-fluoro-anilino)-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H26FN5O3 MolecularWeight: 427.471943

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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)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C22H26FN5O3/c1-21(2,3)31-20(30)28-12-15(27-17-7-6-14(11-24)9-16(17)23)10-22(28,13-25)19(29)18-5-4-8-26-18/h6-7,9,15,18,26-27H,4-5,8,10,12H2,1-3H3