6-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-[bis(4-fluorophenyl)methyl]piperazino]methyl]sesamol Formula: C25H24F2N2O3 MolecularWeight: 438.466466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2O)OCO3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H24F2N2O3/c26-20-5-1-17(2-6-20)25(18-3-7-21(27)8-4-18)29-11-9-28(10-12-29)15-19-13-23-24(14-22(19)30)32-16-31-23/h1-8,13-14,25,30H,9-12,15-16H2