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

Systemtic Name: 3-fluoranyl-5-(heptylamino)-4-methyl-benzenecarbonitrile Openeye Name: 3-fluoro-5-(heptylamino)-4-methyl-benzonitrile CAS Name: 3-fluoro-5-(heptylamino)-4-methylbenzonitrile IUPAC Name: 3-fluoro-5-(heptylamino)-4-methylbenzonitrile Traditional Name: 3-fluoro-5-(heptylamino)-4-methyl-benzonitrile Formula: C15H21FN2 MolecularWeight: 248.339043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C(=CC(=C1)C#N)F)C

Isomeric SMILES

CCCCCCCNC1=C(C(=CC(=C1)C#N)F)C

InChI

InChI=1S/C15H21FN2/c1-3-4-5-6-7-8-18-15-10-13(11-17)9-14(16)12(15)2/h9-10,18H,3-8H2,1-2H3