3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]methyl]-4-fluoro-benzonitrile Formula: C20H19FN2O2 MolecularWeight: 338.375463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=C(C=CC(=C2)C#N)F)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@H](N(C1)CC2=C(C=CC(=C2)C#N)F)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H19FN2O2/c21-17-5-3-14(12-22)10-16(17)13-23-7-1-2-18(23)15-4-6-19-20(11-15)25-9-8-24-19/h3-6,10-11,18H,1-2,7-9,13H2/t18-/m0/s1