3-[(5-bromanyl-2-fluoranyl-phenyl)methyl-phenyl-amino]propanenitrile

Systemtic Name: 3-[(5-bromanyl-2-fluoranyl-phenyl)methyl-phenyl-amino]propanenitrile Openeye Name: 3-[N-[(5-bromo-2-fluoro-phenyl)methyl]anilino]propanenitrile CAS Name: 3-[N-[(5-bromo-2-fluorophenyl)methyl]anilino]propanenitrile IUPAC Name: 3-[N-[(5-bromo-2-fluorophenyl)methyl]anilino]propanenitrile Traditional Name: 3-(N-(5-bromo-2-fluoro-benzyl)anilino)propionitrile Formula: C16H14BrFN2 MolecularWeight: 333.198163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)CC2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C16H14BrFN2/c17-14-7-8-16(18)13(11-14)12-20(10-4-9-19)15-5-2-1-3-6-15/h1-3,5-8,11H,4,10,12H2