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

Systemtic Name: 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]pentanenitrile Openeye Name: 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)-1-piperidyl]pentanenitrile CAS Name: 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]pentanenitrile IUPAC Name: 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentanenitrile Traditional Name: 2-cyclohexyl-2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperidino]valeronitrile Formula: C31H39FN2O3 MolecularWeight: 506.651363

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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)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)(C#N)C4CCCCC4)OC

InChI

InChI=1S/C31H39FN2O3/c1-36-28-14-11-26(21-29(28)37-2)31(22-33,25-7-4-3-5-8-25)17-6-18-34-19-15-24(16-20-34)30(35)23-9-12-27(32)13-10-23/h9-14,21,24-25H,3-8,15-20H2,1-2H3