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

Systemtic Name: 2-cyclobutyl-2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]pentanenitrile Openeye Name: 2-cyclobutyl-2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)-1-piperidyl]pentanenitrile CAS Name: 2-cyclobutyl-2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]pentanenitrile IUPAC Name: 2-cyclobutyl-2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentanenitrile Traditional Name: 2-cyclobutyl-2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperidino]valeronitrile Formula: C29H35FN2O3 MolecularWeight: 478.598203

Click to see the large picture

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)C4CCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)(C#N)C4CCC4)OC

InChI

InChI=1S/C29H35FN2O3/c1-34-26-12-9-24(19-27(26)35-2)29(20-31,23-5-3-6-23)15-4-16-32-17-13-22(14-18-32)28(33)21-7-10-25(30)11-8-21/h7-12,19,22-23H,3-6,13-18H2,1-2H3