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

Systemtic Name: 4-[[butan-2-yl(methyl)amino]methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 3-fluoro-4-[[methyl(sec-butyl)amino]methyl]benzonitrile CAS Name: 4-[[butan-2-yl(methyl)amino]methyl]-3-fluorobenzonitrile IUPAC Name: 4-[[butan-2-yl(methyl)amino]methyl]-3-fluorobenzonitrile Traditional Name: 3-fluoro-4-[[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=C(C=C1)C#N)F

Isomeric SMILES

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

InChI

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