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

Systemtic Name: tert-butyl 4-(4-chloranylisoquinolin-1-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(4-chloro-1-isoquinolyl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(4-chloro-1-isoquinolinyl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-chloroisoquinolin-1-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(4-chloro-1-isoquinolyl)-4-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)(C3=NC=C(C4=CC=CC=C43)Cl)N5CCNCC5

Isomeric SMILES

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

InChI

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