2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-2-phenylsulfanyl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]-2-phenylsulfanyl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)-1-piperidyl]-2-phenylsulfanyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]-2-(phenylthio)pentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-phenylsulfanylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperidino]-2-(phenylthio)valeronitrile Formula: C31H33FN2O3S MolecularWeight: 532.668723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)(C#N)SC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)(C#N)SC4=CC=CC=C4)OC

InChI

InChI=1S/C31H33FN2O3S/c1-36-28-14-11-25(21-29(28)37-2)31(22-33,38-27-7-4-3-5-8-27)17-6-18-34-19-15-24(16-20-34)30(35)23-9-12-26(32)13-10-23/h3-5,7-14,21,24H,6,15-20H2,1-2H3