1-[[(2S)-6-fluoranyl-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl]methyl]-4-pyridin-2-yl-piperazine

Systemtic Name: 1-[[(2S)-6-fluoranyl-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl]methyl]-4-pyridin-2-yl-piperazine Openeye Name: 1-[[(2S)-6-fluoro-2-(3-thienyl)-4H-1,3-benzodioxin-8-yl]methyl]-4-(2-pyridyl)piperazine CAS Name: 1-[[(2S)-6-fluoro-2-(3-thiophenyl)-4H-1,3-benzodioxin-8-yl]methyl]-4-(2-pyridinyl)piperazine IUPAC Name: 1-[[(2S)-6-fluoro-2-thiophen-3-yl-4H-1,3-benzodioxin-8-yl]methyl]-4-pyridin-2-ylpiperazine Traditional Name: 1-[[(2S)-6-fluoro-2-(3-thienyl)-4H-1,3-benzodioxin-8-yl]methyl]-4-(2-pyridyl)piperazine Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC(=C2)F)COC(O3)C4=CSC=C4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC(=C2)F)CO[C@@H](O3)C4=CSC=C4)C5=CC=CC=N5

InChI

InChI=1S/C22H22FN3O2S/c23-19-11-17(13-25-6-8-26(9-7-25)20-3-1-2-5-24-20)21-18(12-19)14-27-22(28-21)16-4-10-29-15-16/h1-5,10-12,15,22H,6-9,13-14H2/t22-/m0/s1