tert-butyl 4-[(4-cyanophenyl)amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-cyanophenyl)amino]-2-pyrrolidin-2-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(4-cyanoanilino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(4-cyanoanilino)-2-[oxo(2-pyrrolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-cyanoanilino)-2-(pyrrolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(4-cyanoanilino)-2-prolyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)C2CCCN2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)C2CCCN2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H28N4O3/c1-21(2,3)28-20(27)25-13-16(24-15-8-6-14(12-22)7-9-15)11-18(25)19(26)17-5-4-10-23-17/h6-9,16-18,23-24H,4-5,10-11,13H2,1-3H3