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

Systemtic Name: tert-butyl 4-[4-(1-methylindazol-3-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1-methylindazol-3-yl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(1-methyl-3-indazolyl)-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1-methylindazol-3-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(1-methylindazol-3-yl)piperazino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H36N6O3S MolecularWeight: 500.65674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N6O3S/c1-25(2,3)34-24(33)31-16-18(15-21(31)23(32)30-13-14-35-17-30)28-9-11-29(12-10-28)22-19-7-5-6-8-20(19)27(4)26-22/h5-8,18,21H,9-17H2,1-4H3