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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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