1-(1,3-benzodioxol-5-yl)-4-[4-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperazin-1-yl]cyclohexan-1-ol

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-[4-[(2-fluoranyl-5-methoxy-phenyl)methyl]piperazin-1-yl]cyclohexan-1-ol Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-[4-[(2-fluoro-5-methoxy-phenyl)methyl]piperazin-1-yl]cyclohexanol CAS Name: 1-(1,3-benzodioxol-5-yl)-4-[4-[(2-fluoro-5-methoxyphenyl)methyl]-1-piperazinyl]-1-cyclohexanol IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]cyclohexan-1-ol Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-[4-(2-fluoro-5-methoxy-benzyl)piperazino]cyclohexanol Formula: C25H31FN2O4 MolecularWeight: 442.523043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)CN2CCN(CC2)C3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

COC1=CC(=C(C=C1)F)CN2CCN(CC2)C3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O

InChI

InChI=1S/C25H31FN2O4/c1-30-21-3-4-22(26)18(14-21)16-27-10-12-28(13-11-27)20-6-8-25(29,9-7-20)19-2-5-23-24(15-19)32-17-31-23/h2-5,14-15,20,29H,6-13,16-17H2,1H3