methyl 1-methyl-4-[[2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]pyrrole-2-carboxylate

Systemtic Name: methyl 1-methyl-4-[[2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonylamino]pyrrole-2-carboxylate Openeye Name: methyl 1-methyl-4-[[2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carbonyl]amino]pyrrole-2-carboxylate CAS Name: 1-methyl-4-[[oxo-[2-[1-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-piperidinyl]-4-thiazolyl]methyl]amino]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-4-[[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]pyrrole-2-carboxylate Traditional Name: 1-methyl-4-[[2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carbonyl]amino]pyrrole-2-carboxylic acid methyl ester Formula: C26H31N7O4S MolecularWeight: 537.63384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CN1C=C(C=C1C(=O)OC)NC(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H31N7O4S/c1-30-16-19(15-21(30)25(35)37-2)28-23(34)20-17-38-24(29-20)18-6-9-32(10-7-18)26(36)33-13-11-31(12-14-33)22-5-3-4-8-27-22/h3-5,8,15-18H,6-7,9-14H2,1-2H3,(H,28,34)