6-(3,4-dimethoxyphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]pyridazin-3-one Openeye Name: 2-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one CAS Name: 6-(3,4-dimethoxyphenyl)-2-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-pyridazinone IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one Traditional Name: 2-[2-(4-benzylpiperidino)-2-keto-ethyl]-6-(3,4-dimethoxyphenyl)pyridazin-3-one Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H29N3O4/c1-32-23-10-8-21(17-24(23)33-2)22-9-11-25(30)29(27-22)18-26(31)28-14-12-20(13-15-28)16-19-6-4-3-5-7-19/h3-11,17,20H,12-16,18H2,1-2H3