3-fluoranyl-5-(hexan-2-ylamino)-4-methyl-benzenecarbonitrile

Systemtic Name: 3-fluoranyl-5-(hexan-2-ylamino)-4-methyl-benzenecarbonitrile Openeye Name: 3-fluoro-4-methyl-5-(1-methylpentylamino)benzonitrile CAS Name: 3-fluoro-5-(hexan-2-ylamino)-4-methylbenzonitrile IUPAC Name: 3-fluoro-5-(hexan-2-ylamino)-4-methylbenzonitrile Traditional Name: 3-fluoro-4-methyl-5-(1-methylpentylamino)benzonitrile Formula: C14H19FN2 MolecularWeight: 234.312463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)NC1=C(C(=CC(=C1)C#N)F)C

Isomeric SMILES

CCCCC(C)NC1=C(C(=CC(=C1)C#N)F)C

InChI

InChI=1S/C14H19FN2/c1-4-5-6-10(2)17-14-8-12(9-16)7-13(15)11(14)3/h7-8,10,17H,4-6H2,1-3H3