2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]-2-propyl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)-oxidanyl-methyl]piperidin-1-yl]-2-propyl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)-hydroxy-methyl]-1-piperidyl]-2-propyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)-hydroxymethyl]-1-piperidinyl]-2-propylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-propylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)-hydroxy-methyl]piperidino]-2-propyl-valeronitrile Formula: C28H37FN2O3 MolecularWeight: 468.603383

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCN1CCC(CC1)C(C2=CC=C(C=C2)F)O)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCC(CCCN1CCC(CC1)C(C2=CC=C(C=C2)F)O)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H37FN2O3/c1-4-14-28(20-30,23-8-11-25(33-2)26(19-23)34-3)15-5-16-31-17-12-22(13-18-31)27(32)21-6-9-24(29)10-7-21/h6-11,19,22,27,32H,4-5,12-18H2,1-3H3