2-[1-cyclohexyl-4-[4-(4-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]-1-oxidanyl-butan-2-yl]benzenecarbonitrile

Systemtic Name: 2-[1-cyclohexyl-4-[4-(4-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]-1-oxidanyl-butan-2-yl]benzenecarbonitrile Openeye Name: 2-[1-[cyclohexyl(hydroxy)methyl]-3-[4-(4-fluoro-2-methoxy-phenyl)piperazin-1-yl]propyl]benzonitrile CAS Name: 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)-1-piperazinyl]-1-hydroxybutan-2-yl]benzonitrile IUPAC Name: 2-[1-cyclohexyl-4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-1-hydroxybutan-2-yl]benzonitrile Traditional Name: 2-[1-[cyclohexyl(hydroxy)methyl]-3-[4-(4-fluoro-2-methoxy-phenyl)piperazino]propyl]benzonitrile Formula: C28H36FN3O2 MolecularWeight: 465.602743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)F)N2CCN(CC2)CCC(C3=CC=CC=C3C#N)C(C4CCCCC4)O

Isomeric SMILES

COC1=C(C=CC(=C1)F)N2CCN(CC2)CCC(C3=CC=CC=C3C#N)C(C4CCCCC4)O

InChI

InChI=1S/C28H36FN3O2/c1-34-27-19-23(29)11-12-26(27)32-17-15-31(16-18-32)14-13-25(24-10-6-5-9-22(24)20-30)28(33)21-7-3-2-4-8-21/h5-6,9-12,19,21,25,28,33H,2-4,7-8,13-18H2,1H3