6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxidanidyl-3-[(4-phenylmethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one

Systemtic Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxidanidyl-3-[(4-phenylmethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one Openeye Name: 3-[(4-benzyloxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-3-[(4-phenylmethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one IUPAC Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-3-[(4-phenylmethoxyphenyl)methyl]-1H-pyrazin-4-ium-2-one Traditional Name: 3-(4-benzoxybenzyl)-6-(1H-indol-3-ylmethyl)-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C28H25N3O4 MolecularWeight: 467.5158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(NC(=O)C(=[N+]1[O-])CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CNC5=CC=CC=C54

Isomeric SMILES

COC1=C(NC(=O)C(=[N+]1[O-])CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H25N3O4/c1-34-28-25(16-21-17-29-24-10-6-5-9-23(21)24)30-27(32)26(31(28)33)15-19-11-13-22(14-12-19)35-18-20-7-3-2-4-8-20/h2-14,17,29H,15-16,18H2,1H3,(H,30,32)