2-[(3,5-dimethoxyphenyl)methyl]-5-(3-fluoranyl-2-oxidanyl-phenyl)-6-methyl-4-phenethyl-pyridazin-3-one

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(3-fluoranyl-2-oxidanyl-phenyl)-6-methyl-4-phenethyl-pyridazin-3-one Openeye Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(3-fluoro-2-hydroxy-phenyl)-6-methyl-4-phenethyl-pyridazin-3-one CAS Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(3-fluoro-2-hydroxyphenyl)-6-methyl-4-phenethyl-3-pyridazinone IUPAC Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(3-fluoro-2-hydroxyphenyl)-6-methyl-4-phenethylpyridazin-3-one Traditional Name: 2-(3,5-dimethoxybenzyl)-5-(3-fluoro-2-hydroxy-phenyl)-6-methyl-4-phenethyl-pyridazin-3-one Formula: C28H27FN2O4 MolecularWeight: 474.523383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C(=C1C2=C(C(=CC=C2)F)O)CCC3=CC=CC=C3)CC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=NN(C(=O)C(=C1C2=C(C(=CC=C2)F)O)CCC3=CC=CC=C3)CC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C28H27FN2O4/c1-18-26(23-10-7-11-25(29)27(23)32)24(13-12-19-8-5-4-6-9-19)28(33)31(30-18)17-20-14-21(34-2)16-22(15-20)35-3/h4-11,14-16,32H,12-13,17H2,1-3H3