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

Systemtic Name: 3-fluoranyl-4-[[methyl(2-methylpropyl)amino]methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[[isobutyl(methyl)amino]methyl]benzonitrile CAS Name: 3-fluoro-4-[[methyl(2-methylpropyl)amino]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[[methyl(2-methylpropyl)amino]methyl]benzonitrile Traditional Name: 3-fluoro-4-[[isobutyl(methyl)amino]methyl]benzonitrile Formula: C13H17FN2 MolecularWeight: 220.285883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17FN2/c1-10(2)8-16(3)9-12-5-4-11(7-15)6-13(12)14/h4-6,10H,8-9H2,1-3H3