1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxidanyl-3-[pyridin-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-4-one

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxidanyl-3-[pyridin-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-4-one Openeye Name: 2-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[3-pyridyl-[4-(2-pyridyl)piperazin-1-yl]methyl]pyridin-4-one CAS Name: 2-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[3-pyridinyl-[4-(2-pyridinyl)-1-piperazinyl]methyl]-4-pyridinone IUPAC Name: 2-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[pyridin-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methyl]pyridin-4-one Traditional Name: 2-hydroxy-6-methyl-1-p-anisyl-3-[3-pyridyl-[4-(2-pyridyl)piperazino]methyl]-4-pyridone Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CC=C(C=C2)OC)O)C(C3=CN=CC=C3)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CC=C(C=C2)OC)O)C(C3=CN=CC=C3)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C29H31N5O3/c1-21-18-25(35)27(29(36)34(21)20-22-8-10-24(37-2)11-9-22)28(23-6-5-12-30-19-23)33-16-14-32(15-17-33)26-7-3-4-13-31-26/h3-13,18-19,28,36H,14-17,20H2,1-2H3