tert-butyl 4-[4-(4-cyanoisoquinolin-1-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-cyanoisoquinolin-1-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-cyano-1-isoquinolyl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(4-cyano-1-isoquinolinyl)-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-cyanoisoquinolin-1-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(4-cyano-1-isoquinolyl)piperazino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H34N6O3S MolecularWeight: 522.66226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=NC=C(C5=CC=CC=C54)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=NC=C(C5=CC=CC=C54)C#N

InChI

InChI=1S/C27H34N6O3S/c1-27(2,3)36-26(35)33-17-20(14-23(33)25(34)32-12-13-37-18-32)30-8-10-31(11-9-30)24-22-7-5-4-6-21(22)19(15-28)16-29-24/h4-7,16,20,23H,8-14,17-18H2,1-3H3