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

Systemtic Name: 2-cyclooctyl-2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]pentanenitrile Openeye Name: 2-cyclooctyl-2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)-1-piperidyl]pentanenitrile CAS Name: 2-cyclooctyl-2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]pentanenitrile IUPAC Name: 2-cyclooctyl-2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentanenitrile Traditional Name: 2-cyclooctyl-2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperidino]valeronitrile Formula: C33H43FN2O3 MolecularWeight: 534.704523

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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)C4CCCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)(C#N)C4CCCCCCC4)OC

InChI

InChI=1S/C33H43FN2O3/c1-38-30-16-13-28(23-31(30)39-2)33(24-35,27-9-6-4-3-5-7-10-27)19-8-20-36-21-17-26(18-22-36)32(37)25-11-14-29(34)15-12-25/h11-16,23,26-27H,3-10,17-22H2,1-2H3