ethyl 4-[3-cyano-5-[[5-cyano-6-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl]-phenyl-methyl]-6-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-cyano-5-[[5-cyano-6-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl]-phenyl-methyl]-6-oxidanyl-4-oxidanylidene-1H-pyridin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-cyano-5-[[5-cyano-6-(4-ethoxycarbonylpiperazin-1-yl)-2-hydroxy-4-oxo-1H-pyridin-3-yl]-phenyl-methyl]-6-hydroxy-4-oxo-1H-pyridin-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-cyano-5-[[5-cyano-6-(4-ethoxycarbonyl-1-piperazinyl)-2-hydroxy-4-oxo-1H-pyridin-3-yl]-phenylmethyl]-6-hydroxy-4-oxo-1H-pyridin-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-cyano-5-[[5-cyano-6-(4-ethoxycarbonylpiperazin-1-yl)-2-hydroxy-4-oxo-1H-pyridin-3-yl]-phenylmethyl]-6-hydroxy-4-oxo-1H-pyridin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[5-[[6-(4-carbethoxypiperazino)-5-cyano-2-hydroxy-4-keto-1H-pyridin-3-yl]-phenyl-methyl]-3-cyano-6-hydroxy-4-keto-1H-pyridin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C33H36N8O8 MolecularWeight: 672.68774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)C(=C(N2)O)C(C3=CC=CC=C3)C4=C(NC(=C(C4=O)C#N)N5CCN(CC5)C(=O)OCC)O)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)C(=C(N2)O)C(C3=CC=CC=C3)C4=C(NC(=C(C4=O)C#N)N5CCN(CC5)C(=O)OCC)O)C#N

InChI

InChI=1S/C33H36N8O8/c1-3-48-32(46)40-14-10-38(11-15-40)28-21(18-34)26(42)24(30(44)36-28)23(20-8-6-5-7-9-20)25-27(43)22(19-35)29(37-31(25)45)39-12-16-41(17-13-39)33(47)49-4-2/h5-9,23H,3-4,10-17H2,1-2H3,(H2,36,42,44)(H2,37,43,45)