4-[1-[4-[2-(4-fluoranyl-2-oxidanyl-phenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[4-[2-(4-fluoranyl-2-oxidanyl-phenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-fluoro-2-hydroxy-phenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(4-fluoro-2-hydroxyphenoxy)ethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(4-fluoro-2-hydroxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(4-fluoro-2-hydroxy-phenoxy)ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C26H34FN3O2 MolecularWeight: 439.565463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34FN3O2/c1-3-4-5-6-24(21-7-8-22(19-28)20(2)17-21)30-13-11-29(12-14-30)15-16-32-26-10-9-23(27)18-25(26)31/h7-10,17-18,24,31H,3-6,11-16H2,1-2H3