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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1F)C#N)NCCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1F)C#N)NCCC(C)C

InChI

InChI=1S/C13H17FN2/c1-9(2)4-5-16-13-7-11(8-15)6-12(14)10(13)3/h6-7,9,16H,4-5H2,1-3H3