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

Systemtic Name: tert-butyl 4-[(4-cyano-2-fluoranyl-phenyl)amino]-2-(2-cyanopyrrolidin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(4-cyano-2-fluoro-anilino)-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(4-cyano-2-fluoroanilino)-2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-cyano-2-fluoroanilino)-2-(2-cyanopyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(4-cyano-2-fluoro-anilino)-2-(2-cyanopyrrolidine-1-carbonyl)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(CC1C(=O)N2CCCC2C#N)NC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

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

InChI

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