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

Systemtic Name: 4-[1-[4-[2-(4-fluoranylphenoxy)ethyl]piperazin-1-yl]octyl]benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]octyl]benzonitrile CAS Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]-1-piperazinyl]octyl]benzonitrile IUPAC Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]octyl]benzonitrile Traditional Name: 4-[1-[4-[2-(4-fluorophenoxy)ethyl]piperazino]octyl]benzonitrile Formula: C27H36FN3O MolecularWeight: 437.592643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36FN3O/c1-2-3-4-5-6-7-27(24-10-8-23(22-29)9-11-24)31-18-16-30(17-19-31)20-21-32-26-14-12-25(28)13-15-26/h8-15,27H,2-7,16-21H2,1H3