5-[4-[2-(4-fluoranylphenoxy)but-3-enyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(4-fluoranylphenoxy)but-3-enyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(4-fluorophenoxy)but-3-enyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(4-fluorophenoxy)but-3-enyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(4-fluorophenoxy)but-3-enyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(4-fluorophenoxy)but-3-enyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C28H36FN3O MolecularWeight: 449.603343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC(C=C)OC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC(C=C)OC2=CC=C(C=C2)F)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C28H36FN3O/c1-4-26(33-27-13-11-25(29)12-14-27)21-32-19-17-31(18-20-32)16-8-15-28(22-30,23(2)3)24-9-6-5-7-10-24/h4-7,9-14,23,26H,1,8,15-21H2,2-3H3