5-[4-[[3,5-bis(oxidanyl)phenyl]methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxy-pyridazin-3-one

Systemtic Name: 5-[4-[[3,5-bis(oxidanyl)phenyl]methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxy-pyridazin-3-one Openeye Name: 4-benzyloxy-5-[4-[(3,5-dihydroxyphenyl)methyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(3,5-dihydroxyphenyl)methyl]-1-piperazinyl]-2-phenyl-4-phenylmethoxy-3-pyridazinone IUPAC Name: 5-[4-[(3,5-dihydroxyphenyl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxypyridazin-3-one Traditional Name: 4-benzoxy-5-[4-(3,5-dihydroxybenzyl)piperazino]-2-phenyl-pyridazin-3-one Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC(=C2)O)O)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC(=C2)O)O)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O4/c33-24-15-22(16-25(34)17-24)19-30-11-13-31(14-12-30)26-18-29-32(23-9-5-2-6-10-23)28(35)27(26)36-20-21-7-3-1-4-8-21/h1-10,15-18,33-34H,11-14,19-20H2