3-fluoranyl-4-methyl-5-(2-methylbutylamino)benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-methyl-5-(2-methylbutylamino)benzenecarbonitrile Openeye Name: 3-fluoro-4-methyl-5-(2-methylbutylamino)benzonitrile CAS Name: 3-fluoro-4-methyl-5-(2-methylbutylamino)benzonitrile IUPAC Name: 3-fluoro-4-methyl-5-(2-methylbutylamino)benzonitrile Traditional Name: 3-fluoro-4-methyl-5-(2-methylbutylamino)benzonitrile Formula: C13H17FN2 MolecularWeight: 220.285883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=C(C(=CC(=C1)C#N)F)C

Isomeric SMILES

CCC(C)CNC1=C(C(=CC(=C1)C#N)F)C

InChI

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