5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-octanenitrile

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-octanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-octanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-yloctanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yloctanenitrile Traditional Name: 5-[4-[2-(4-fluorophenoxy)ethyl]piperazino]-2-isopropyl-2-phenyl-caprylonitrile Formula: C29H40FN3O MolecularWeight: 465.645803

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC(C#N)(C1=CC=CC=C1)C(C)C)N2CCN(CC2)CCOC3=CC=C(C=C3)F

Isomeric SMILES

CCCC(CCC(C#N)(C1=CC=CC=C1)C(C)C)N2CCN(CC2)CCOC3=CC=C(C=C3)F

InChI

InChI=1S/C29H40FN3O/c1-4-8-27(15-16-29(23-31,24(2)3)25-9-6-5-7-10-25)33-19-17-32(18-20-33)21-22-34-28-13-11-26(30)12-14-28/h5-7,9-14,24,27H,4,8,15-22H2,1-3H3