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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)methylene]-1-piperidyl]-2-isopropyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)methylidene]-1-piperidinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[4-[(4-fluorophenyl)methylidene]piperidin-1-yl]-2-propan-2-ylpentanenitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-5-[4-(4-fluorobenzylidene)piperidino]-2-isopropyl-valeronitrile Formula: C28H35FN2O2 MolecularWeight: 450.588103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCC(=CC2=CC=C(C=C2)F)CC1)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCN1CCC(=CC2=CC=C(C=C2)F)CC1)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H35FN2O2/c1-21(2)28(20-30,24-8-11-26(32-3)27(19-24)33-4)14-5-15-31-16-12-23(13-17-31)18-22-6-9-25(29)10-7-22/h6-11,18-19,21H,5,12-17H2,1-4H3