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

Systemtic Name: tert-butyl 4-[4-(2-azanylquinolin-4-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-amino-4-quinolyl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(2-amino-4-quinolinyl)-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-aminoquinolin-4-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(2-amino-4-quinolyl)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)N3CCN(CC3)C4=CC(=NC5=CC=CC=C54)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=CC(=NC5=CC=CC=C54)N

InChI

InChI=1S/C26H36N6O3S/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)21-15-23(27)28-20-7-5-4-6-19(20)21/h4-7,15,18,22H,8-14,16-17H2,1-3H3,(H2,27,28)