3-[[1,3-benzodioxol-5-ylmethyl(ethyl)amino]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[1,3-benzodioxol-5-ylmethyl(ethyl)amino]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[1,3-benzodioxol-5-ylmethyl(ethyl)amino]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[1,3-benzodioxol-5-ylmethyl(ethyl)amino]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[1,3-benzodioxol-5-ylmethyl(ethyl)amino]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[ethyl(piperonyl)amino]methyl]-4-fluoro-benzonitrile Formula: C18H17FN2O2 MolecularWeight: 312.338183

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C18H17FN2O2/c1-2-21(11-15-7-13(9-20)3-5-16(15)19)10-14-4-6-17-18(8-14)23-12-22-17/h3-8H,2,10-12H2,1H3