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

Systemtic Name: 3-[(2-ethanoyl-3-fluoranyl-phenyl)-methyl-amino]propanenitrile Openeye Name: 3-(2-acetyl-3-fluoro-N-methyl-anilino)propanenitrile CAS Name: 3-(2-acetyl-3-fluoro-N-methylanilino)propanenitrile IUPAC Name: 3-(2-acetyl-3-fluoro-N-methylanilino)propanenitrile Traditional Name: 3-(2-acetyl-3-fluoro-N-methyl-anilino)propionitrile Formula: C12H13FN2O MolecularWeight: 220.242823

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC=C1F)N(C)CCC#N

Isomeric SMILES

CC(=O)C1=C(C=CC=C1F)N(C)CCC#N

InChI

InChI=1S/C12H13FN2O/c1-9(16)12-10(13)5-3-6-11(12)15(2)8-4-7-14/h3,5-6H,4,8H2,1-2H3