4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[[2-cyanoethyl(3-pyridylmethyl)amino]methyl]-3-fluoro-benzonitrile CAS Name: 4-[[2-cyanoethyl(3-pyridinylmethyl)amino]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[2-cyanoethyl(pyridin-3-ylmethyl)amino]methyl]-3-fluorobenzonitrile Traditional Name: 4-[[2-cyanoethyl(3-pyridylmethyl)amino]methyl]-3-fluoro-benzonitrile Formula: C17H15FN4 MolecularWeight: 294.326203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15FN4/c18-17-9-14(10-20)4-5-16(17)13-22(8-2-6-19)12-15-3-1-7-21-11-15/h1,3-5,7,9,11H,2,8,12-13H2