3-fluoranyl-5-(heptan-4-ylamino)-4-methyl-benzenecarbonitrile

Systemtic Name: 3-fluoranyl-5-(heptan-4-ylamino)-4-methyl-benzenecarbonitrile Openeye Name: 3-fluoro-4-methyl-5-(1-propylbutylamino)benzonitrile CAS Name: 3-fluoro-5-(heptan-4-ylamino)-4-methylbenzonitrile IUPAC Name: 3-fluoro-5-(heptan-4-ylamino)-4-methylbenzonitrile Traditional Name: 3-fluoro-4-methyl-5-(1-propylbutylamino)benzonitrile Formula: C15H21FN2 MolecularWeight: 248.339043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=C(C(=CC(=C1)C#N)F)C

Isomeric SMILES

CCCC(CCC)NC1=C(C(=CC(=C1)C#N)F)C

InChI

InChI=1S/C15H21FN2/c1-4-6-13(7-5-2)18-15-9-12(10-17)8-14(16)11(15)3/h8-9,13,18H,4-7H2,1-3H3