2-[[4-(1-azanylethyl)-2-fluoranyl-phenyl]-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[[4-(1-azanylethyl)-2-fluoranyl-phenyl]-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[4-(1-aminoethyl)-N-(cyanomethyl)-2-fluoro-anilino]acetonitrile CAS Name: 2-[4-(1-aminoethyl)-N-(cyanomethyl)-2-fluoroanilino]acetonitrile IUPAC Name: 2-[4-(1-aminoethyl)-N-(cyanomethyl)-2-fluoroanilino]acetonitrile Traditional Name: 2-[4-(1-aminoethyl)-N-(cyanomethyl)-2-fluoro-anilino]acetonitrile Formula: C12H13FN4 MolecularWeight: 232.256823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)N(CC#N)CC#N)F)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)N(CC#N)CC#N)F)N

InChI

InChI=1S/C12H13FN4/c1-9(16)10-2-3-12(11(13)8-10)17(6-4-14)7-5-15/h2-3,8-9H,6-7,16H2,1H3