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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O3/c1-21-17-25(35)27(29(36)34(21)20-22-7-6-11-30-19-22)28(23-8-5-9-24(18-23)37-2)33-15-13-32(14-16-33)26-10-3-4-12-31-26/h3-12,17-19,28,36H,13-16,20H2,1-2H3/t28-/m0/s1