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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1F)CN2CCN(CC2)C3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O

Isomeric SMILES

COC1=CC=CC(=C1F)CN2CCN(CC2)C3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O

InChI

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