tert-butyl 4-(4-isoquinolin-1-ylpiperazin-1-yl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-isoquinolin-1-ylpiperazin-1-yl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1-isoquinolyl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(1-isoquinolinyl)-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-isoquinolin-1-ylpiperazin-1-yl)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(1-isoquinolyl)piperazino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H35N5O3S MolecularWeight: 497.6528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C26H35N5O3S/c1-26(2,3)34-25(33)31-17-20(16-22(31)24(32)30-14-15-35-18-30)28-10-12-29(13-11-28)23-21-7-5-4-6-19(21)8-9-27-23/h4-9,20,22H,10-18H2,1-3H3