1-[4-[1,2-bis(oxidanyl)ethyl]piperazin-1-yl]-2-[3-[2-[[2-[6-(hydroxymethyl)-5-oxidanyl-pyridin-2-yl]-2-oxidanyl-ethyl]amino]-2-methyl-propyl]phenyl]ethanone

Systemtic Name: 1-[4-[1,2-bis(oxidanyl)ethyl]piperazin-1-yl]-2-[3-[2-[[2-[6-(hydroxymethyl)-5-oxidanyl-pyridin-2-yl]-2-oxidanyl-ethyl]amino]-2-methyl-propyl]phenyl]ethanone Openeye Name: 1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridyl]ethyl]amino]-2-methyl-propyl]phenyl]ethanone CAS Name: 1-[4-(1,2-dihydroxyethyl)-1-piperazinyl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]ethanone IUPAC Name: 1-[4-(1,2-dihydroxyethyl)piperazin-1-yl]-2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)pyridin-2-yl]ethyl]amino]-2-methylpropyl]phenyl]ethanone Traditional Name: 1-[4-(1,2-dihydroxyethyl)piperazino]-2-[3-[2-[[2-hydroxy-2-(5-hydroxy-6-methylol-2-pyridyl)ethyl]amino]-2-methyl-propyl]phenyl]ethanone Formula: C26H38N4O6 MolecularWeight: 502.60312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC(=C1)CC(=O)N2CCN(CC2)C(CO)O)NCC(C3=NC(=C(C=C3)O)CO)O

Isomeric SMILES

CC(C)(CC1=CC=CC(=C1)CC(=O)N2CCN(CC2)C(CO)O)NCC(C3=NC(=C(C=C3)O)CO)O

InChI

InChI=1S/C26H38N4O6/c1-26(2,27-15-23(34)20-6-7-22(33)21(16-31)28-20)14-19-5-3-4-18(12-19)13-24(35)29-8-10-30(11-9-29)25(36)17-32/h3-7,12,23,25,27,31-34,36H,8-11,13-17H2,1-2H3