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

Systemtic Name: 4-(4-butanoylpiperazin-1-yl)-5-fluoranyl-2-methyl-benzenecarbonitrile Openeye Name: 4-(4-butanoylpiperazin-1-yl)-5-fluoro-2-methyl-benzonitrile CAS Name: 5-fluoro-2-methyl-4-[4-(1-oxobutyl)-1-piperazinyl]benzonitrile IUPAC Name: 4-(4-butanoylpiperazin-1-yl)-5-fluoro-2-methylbenzonitrile Traditional Name: 4-(4-butyrylpiperazino)-5-fluoro-2-methyl-benzonitrile Formula: C16H20FN3O MolecularWeight: 289.347903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20FN3O/c1-3-4-16(21)20-7-5-19(6-8-20)15-9-12(2)13(11-18)10-14(15)17/h9-10H,3-8H2,1-2H3