6-(4-methoxyphenyl)-2-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyridazin-3-one

Systemtic Name: 6-(4-methoxyphenyl)-2-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyridazin-3-one Openeye Name: 6-(4-methoxyphenyl)-2-[[1-(3-phenylpropanoyl)-4-piperidyl]methyl]pyridazin-3-one CAS Name: 6-(4-methoxyphenyl)-2-[[1-(1-oxo-3-phenylpropyl)-4-piperidinyl]methyl]-3-pyridazinone IUPAC Name: 6-(4-methoxyphenyl)-2-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyridazin-3-one Traditional Name: 2-[(1-hydrocinnamoyl-4-piperidyl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3CCN(CC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC3CCN(CC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3/c1-32-23-10-8-22(9-11-23)24-12-14-26(31)29(27-24)19-21-15-17-28(18-16-21)25(30)13-7-20-5-3-2-4-6-20/h2-6,8-12,14,21H,7,13,15-19H2,1H3