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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)-1-piperidyl]pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]pentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperidin-1-yl]pentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzoyl)piperidino]valeronitrile Formula: C25H29FN2O3 MolecularWeight: 424.507763

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN2O3/c1-30-23-10-7-20(16-24(23)31-2)21(17-27)4-3-13-28-14-11-19(12-15-28)25(29)18-5-8-22(26)9-6-18/h5-10,16,19,21H,3-4,11-15H2,1-2H3