5-(cyanomethyl)-2-fluoranyl-3-(2-methylpropyl)benzenecarbonitrile

Systemtic Name: 5-(cyanomethyl)-2-fluoranyl-3-(2-methylpropyl)benzenecarbonitrile Openeye Name: 5-(cyanomethyl)-2-fluoro-3-isobutyl-benzonitrile CAS Name: 5-(cyanomethyl)-2-fluoro-3-(2-methylpropyl)benzonitrile IUPAC Name: 5-(cyanomethyl)-2-fluoro-3-(2-methylpropyl)benzonitrile Traditional Name: 5-(cyanomethyl)-2-fluoro-3-isobutyl-benzonitrile Formula: C13H13FN2 MolecularWeight: 216.254123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13FN2/c1-9(2)5-11-6-10(3-4-15)7-12(8-16)13(11)14/h6-7,9H,3,5H2,1-2H3