6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-yl-methyl]-2-oxidanyl-1-(pyridin-3-ylmethyl)pyridin-4-one

Systemtic Name: 6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-yl-methyl]-2-oxidanyl-1-(pyridin-3-ylmethyl)pyridin-4-one Openeye Name: 2-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-(1-piperidyl)methyl]-1-(3-pyridylmethyl)pyridin-4-one CAS Name: 2-hydroxy-6-methyl-3-[[4-(methylthio)phenyl]-(1-piperidinyl)methyl]-1-(3-pyridinylmethyl)-4-pyridinone IUPAC Name: 2-hydroxy-6-methyl-3-[(4-methylsulfanylphenyl)-piperidin-1-ylmethyl]-1-(pyridin-3-ylmethyl)pyridin-4-one Traditional Name: 2-hydroxy-6-methyl-3-[[4-(methylthio)phenyl]-piperidino-methyl]-1-(3-pyridylmethyl)-4-pyridone Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC2=CN=CC=C2)O)C(C3=CC=C(C=C3)SC)N4CCCCC4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC2=CN=CC=C2)O)C(C3=CC=C(C=C3)SC)N4CCCCC4

InChI

InChI=1S/C25H29N3O2S/c1-18-15-22(29)23(25(30)28(18)17-19-7-6-12-26-16-19)24(27-13-4-3-5-14-27)20-8-10-21(31-2)11-9-20/h6-12,15-16,24,30H,3-5,13-14,17H2,1-2H3