2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,4-benzodioxin-6-ol

Systemtic Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,4-benzodioxin-6-ol Openeye Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,4-benzodioxin-6-ol CAS Name: 2-[[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-1,4-benzodioxin-6-ol IUPAC Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,4-benzodioxin-6-ol Traditional Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazino]methyl]-1,4-benzodioxin-6-ol Formula: C26H24F2N2O3 MolecularWeight: 450.477166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=COC3=C(O2)C=CC(=C3)O)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1CC2=COC3=C(O2)C=CC(=C3)O)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H24F2N2O3/c27-20-5-1-18(2-6-20)26(19-3-7-21(28)8-4-19)30-13-11-29(12-14-30)16-23-17-32-25-15-22(31)9-10-24(25)33-23/h1-10,15,17,26,31H,11-14,16H2