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

Systemtic Name: 4-[1-[4-[2-(4-fluoranyl-2-methoxy-phenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(4-fluoro-2-methoxy-phenoxy)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[4-[2-(4-fluoro-2-methoxyphenoxy)ethyl]-1-piperazinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[4-[2-(4-fluoro-2-methoxyphenoxy)ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(4-fluoro-2-methoxy-phenoxy)ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C27H36FN3O2 MolecularWeight: 453.592043

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H36FN3O2/c1-4-5-6-7-25(22-8-9-23(20-29)21(2)18-22)31-14-12-30(13-15-31)16-17-33-26-11-10-24(28)19-27(26)32-3/h8-11,18-19,25H,4-7,12-17H2,1-3H3