5-fluoranyl-4-(4-hexanoylpiperazin-1-yl)-2-methyl-benzenecarbonitrile

Systemtic Name: 5-fluoranyl-4-(4-hexanoylpiperazin-1-yl)-2-methyl-benzenecarbonitrile Openeye Name: 5-fluoro-4-(4-hexanoylpiperazin-1-yl)-2-methyl-benzonitrile CAS Name: 5-fluoro-2-methyl-4-[4-(1-oxohexyl)-1-piperazinyl]benzonitrile IUPAC Name: 5-fluoro-4-(4-hexanoylpiperazin-1-yl)-2-methylbenzonitrile Traditional Name: 4-(4-caproylpiperazino)-5-fluoro-2-methyl-benzonitrile Formula: C18H24FN3O MolecularWeight: 317.401063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=C(C=C(C(=C2)C)C#N)F

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=C(C=C(C(=C2)C)C#N)F

InChI

InChI=1S/C18H24FN3O/c1-3-4-5-6-18(23)22-9-7-21(8-10-22)17-11-14(2)15(13-20)12-16(17)19/h11-12H,3-10H2,1-2H3