3-[[butan-2-yl(methyl)amino]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[butan-2-yl(methyl)amino]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 4-fluoro-3-[[methyl(sec-butyl)amino]methyl]benzonitrile CAS Name: 3-[[butan-2-yl(methyl)amino]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[butan-2-yl(methyl)amino]methyl]-4-fluorobenzonitrile Traditional Name: 4-fluoro-3-[[methyl(sec-butyl)amino]methyl]benzonitrile Formula: C13H17FN2 MolecularWeight: 220.285883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)CC1=C(C=CC(=C1)C#N)F

Isomeric SMILES

CCC(C)N(C)CC1=C(C=CC(=C1)C#N)F

InChI

InChI=1S/C13H17FN2/c1-4-10(2)16(3)9-12-7-11(8-15)5-6-13(12)14/h5-7,10H,4,9H2,1-3H3