5-methoxy-2-(2-methylphenyl)-6-[4-(phenylmethyl)piperidin-1-yl]carbonyl-pyridazin-3-one

Systemtic Name: 5-methoxy-2-(2-methylphenyl)-6-[4-(phenylmethyl)piperidin-1-yl]carbonyl-pyridazin-3-one Openeye Name: 6-(4-benzylpiperidine-1-carbonyl)-5-methoxy-2-(o-tolyl)pyridazin-3-one CAS Name: 5-methoxy-2-(2-methylphenyl)-6-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-3-pyridazinone IUPAC Name: 6-(4-benzylpiperidine-1-carbonyl)-5-methoxy-2-(2-methylphenyl)pyridazin-3-one Traditional Name: 6-(4-benzylpiperidine-1-carbonyl)-5-methoxy-2-(o-tolyl)pyridazin-3-one Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C=C(C(=N2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C=C(C(=N2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H27N3O3/c1-18-8-6-7-11-21(18)28-23(29)17-22(31-2)24(26-28)25(30)27-14-12-20(13-15-27)16-19-9-4-3-5-10-19/h3-11,17,20H,12-16H2,1-2H3