tert-butyl 4-(5-methyl-2-phenyl-pyrazol-3-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-methyl-2-phenyl-pyrazol-3-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(5-methyl-2-phenyl-pyrazol-3-yl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(5-methyl-2-phenyl-3-pyrazolyl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-methyl-2-phenylpyrazol-3-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(5-methyl-2-phenyl-pyrazol-3-yl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H38N6O3S MolecularWeight: 526.69402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2(CC(N(C2)C(=O)OC(C)(C)C)C(=O)N3CCSC3)N4CCNCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1)C2(CC(N(C2)C(=O)OC(C)(C)C)C(=O)N3CCSC3)N4CCNCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H38N6O3S/c1-20-16-23(33(29-20)21-8-6-5-7-9-21)27(31-12-10-28-11-13-31)17-22(24(34)30-14-15-37-19-30)32(18-27)25(35)36-26(2,3)4/h5-9,16,22,28H,10-15,17-19H2,1-4H3