4-[1-[4-[3-(4-fluoranylphenoxy)pentyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[3-(4-fluoranylphenoxy)pentyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[3-(4-fluorophenoxy)pentyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[3-(4-fluorophenoxy)pentyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[3-(4-fluorophenoxy)pentyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[3-(4-fluorophenoxy)pentyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C29H40FN3O MolecularWeight: 465.645803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCC(CC)OC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCC(CC)OC3=CC=C(C=C3)F

InChI

InChI=1S/C29H40FN3O/c1-4-6-7-8-29(24-9-10-25(22-31)23(3)21-24)33-19-17-32(18-20-33)16-15-27(5-2)34-28-13-11-26(30)12-14-28/h9-14,21,27,29H,4-8,15-20H2,1-3H3