1-phenyl-2-[3-[4-(phenylmethyl)piperidin-1-yl]carbonylpyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-phenyl-2-[3-[4-(phenylmethyl)piperidin-1-yl]carbonylpyridin-2-yl]sulfanyl-ethanone Openeye Name: 2-[[3-(4-benzylpiperidine-1-carbonyl)-2-pyridyl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-2-pyridinyl]thio]-1-phenylethanone IUPAC Name: 2-[3-(4-benzylpiperidine-1-carbonyl)pyridin-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[3-(4-benzylpiperidine-1-carbonyl)-2-pyridyl]thio]-1-phenyl-ethanone Formula: C26H26N2O2S MolecularWeight: 430.56184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O2S/c29-24(22-10-5-2-6-11-22)19-31-25-23(12-7-15-27-25)26(30)28-16-13-21(14-17-28)18-20-8-3-1-4-9-20/h1-12,15,21H,13-14,16-19H2