4-[1-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]heptyl]benzenecarbonitrile

Systemtic Name: 4-[1-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]heptyl]benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]heptyl]benzonitrile CAS Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]heptyl]benzonitrile IUPAC Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]heptyl]benzonitrile Traditional Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazino]heptyl]benzonitrile Formula: C26H34FN3O MolecularWeight: 423.566063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34FN3O/c1-2-3-4-5-6-26(23-9-7-22(21-28)8-10-23)30-17-15-29(16-18-30)19-20-31-25-13-11-24(27)12-14-25/h7-14,26H,2-6,15-20H2,1H3