3-fluoranyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-fluoro-4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-fluoro-4-[(4-isobutyrylpiperazino)methyl]benzonitrile Formula: C16H20FN3O MolecularWeight: 289.347903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)CC2=C(C=C(C=C2)C#N)F

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)CC2=C(C=C(C=C2)C#N)F

InChI

InChI=1S/C16H20FN3O/c1-12(2)16(21)20-7-5-19(6-8-20)11-14-4-3-13(10-18)9-15(14)17/h3-4,9,12H,5-8,11H2,1-2H3