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

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(2-hydroxyphenyl)-6-methyl-4-phenethyl-pyridazin-3-one Openeye Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(2-hydroxyphenyl)-6-methyl-4-phenethyl-pyridazin-3-one CAS Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(2-hydroxyphenyl)-6-methyl-4-phenethyl-3-pyridazinone IUPAC Name: 2-[(3,5-dimethoxyphenyl)methyl]-5-(2-hydroxyphenyl)-6-methyl-4-phenethylpyridazin-3-one Traditional Name: 2-(3,5-dimethoxybenzyl)-5-(2-hydroxyphenyl)-6-methyl-4-phenethyl-pyridazin-3-one Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C(=C1C2=CC=CC=C2O)CCC3=CC=CC=C3)CC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=NN(C(=O)C(=C1C2=CC=CC=C2O)CCC3=CC=CC=C3)CC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C28H28N2O4/c1-19-27(24-11-7-8-12-26(24)31)25(14-13-20-9-5-4-6-10-20)28(32)30(29-19)18-21-15-22(33-2)17-23(16-21)34-3/h4-12,15-17,31H,13-14,18H2,1-3H3