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

Systemtic Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]methyl]-3-fluoro-benzonitrile CAS Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]-3-fluorobenzonitrile Traditional Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]methyl]-3-fluoro-benzonitrile Formula: C18H17FN2O2 MolecularWeight: 312.338183

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)CC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)CC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C18H17FN2O2/c1-21(10-14-7-6-13(9-20)8-16(14)19)11-15-12-22-17-4-2-3-5-18(17)23-15/h2-8,15H,10-12H2,1H3/t15-/m0/s1