2-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)-oxidanyl-methyl]-6-piperidin-1-yl-hexanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)-oxidanyl-methyl]-6-piperidin-1-yl-hexanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)-hydroxy-methyl]-6-(1-piperidyl)hexanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethyl]-6-(1-piperidinyl)hexanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethyl]-6-piperidin-1-ylhexanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)-hydroxy-methyl]-6-piperidino-hexanenitrile Formula: C26H33FN2O3 MolecularWeight: 440.550223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(CCN2CCCCC2)C(C3=CC=C(C=C3)F)O)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(CCN2CCCCC2)C(C3=CC=C(C=C3)F)O)C#N)OC

InChI

InChI=1S/C26H33FN2O3/c1-31-24-11-8-20(17-25(24)32-2)22(18-28)16-21(12-15-29-13-4-3-5-14-29)26(30)19-6-9-23(27)10-7-19/h6-11,17,21-22,26,30H,3-5,12-16H2,1-2H3