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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=NC=C(C4=CC=CC=C43)C#N)N5CCNCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=NC=C(C4=CC=CC=C43)C#N)N5CCNCC5

InChI

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