3-[(3-fluoranyl-4-methoxy-phenyl)methyl-phenyl-amino]propanenitrile

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)methyl-phenyl-amino]propanenitrile Openeye Name: 3-[N-[(3-fluoro-4-methoxy-phenyl)methyl]anilino]propanenitrile CAS Name: 3-[N-[(3-fluoro-4-methoxyphenyl)methyl]anilino]propanenitrile IUPAC Name: 3-[N-[(3-fluoro-4-methoxyphenyl)methyl]anilino]propanenitrile Traditional Name: 3-(N-(3-fluoro-4-methoxy-benzyl)anilino)propionitrile Formula: C17H17FN2O MolecularWeight: 284.328083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCC#N)C2=CC=CC=C2)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCC#N)C2=CC=CC=C2)F

InChI

InChI=1S/C17H17FN2O/c1-21-17-9-8-14(12-16(17)18)13-20(11-5-10-19)15-6-3-2-4-7-15/h2-4,6-9,12H,5,11,13H2,1H3