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

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

Isomeric SMILES

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

InChI

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