ethyl 1-[[2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[2-[1-(4-pyridin-2-ylpiperazin-1-yl)carbonylpiperidin-4-yl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[2-[1-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-piperidinyl]-4-thiazolyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[1-[4-(2-pyridyl)piperazine-1-carbonyl]-4-piperidyl]thiazole-4-carbonyl]nipecotic acid ethyl ester Formula: C27H36N6O4S MolecularWeight: 540.67754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)C3CCN(CC3)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C27H36N6O4S/c1-2-37-26(35)21-6-5-11-33(18-21)25(34)22-19-38-24(29-22)20-8-12-31(13-9-20)27(36)32-16-14-30(15-17-32)23-7-3-4-10-28-23/h3-4,7,10,19-21H,2,5-6,8-9,11-18H2,1H3