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

Systemtic Name: tert-butyl 4-(2-azanylquinolin-4-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(2-amino-4-quinolyl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(2-amino-4-quinolinyl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-aminoquinolin-4-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(2-amino-4-quinolyl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H36N6O3S MolecularWeight: 512.66744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=CC(=NC4=CC=CC=C43)N)N5CCNCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=CC(=NC4=CC=CC=C43)N)N5CCNCC5

InChI

InChI=1S/C26H36N6O3S/c1-25(2,3)35-24(34)32-16-26(31-10-8-28-9-11-31,15-21(32)23(33)30-12-13-36-17-30)19-14-22(27)29-20-7-5-4-6-18(19)20/h4-7,14,21,28H,8-13,15-17H2,1-3H3,(H2,27,29)