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

Systemtic Name: 3-fluoranyl-4-methyl-5-(octan-2-ylamino)benzenecarbonitrile Openeye Name: 3-fluoro-4-methyl-5-(1-methylheptylamino)benzonitrile CAS Name: 3-fluoro-4-methyl-5-(octan-2-ylamino)benzonitrile IUPAC Name: 3-fluoro-4-methyl-5-(octan-2-ylamino)benzonitrile Traditional Name: 3-fluoro-4-methyl-5-(1-methylheptylamino)benzonitrile Formula: C16H23FN2 MolecularWeight: 262.365623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23FN2/c1-4-5-6-7-8-12(2)19-16-10-14(11-18)9-15(17)13(16)3/h9-10,12,19H,4-8H2,1-3H3