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

Systemtic Name: tert-butyl 4-[4-(4-chloranylisoquinolin-1-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-chloro-1-isoquinolyl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(4-chloro-1-isoquinolinyl)-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-chloroisoquinolin-1-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(4-chloro-1-isoquinolyl)piperazino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H34ClN5O3S MolecularWeight: 532.09786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClN5O3S/c1-26(2,3)35-25(34)32-16-18(14-22(32)24(33)31-12-13-36-17-31)29-8-10-30(11-9-29)23-20-7-5-4-6-19(20)21(27)15-28-23/h4-7,15,18,22H,8-14,16-17H2,1-3H3