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

Systemtic Name: 5-fluoranyl-2-methyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]benzenecarbonitrile Openeye Name: 5-fluoro-2-methyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]benzonitrile CAS Name: 5-fluoro-2-methyl-4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]benzonitrile IUPAC Name: 5-fluoro-2-methyl-4-[4-(2-methylpropanoyl)piperazin-1-yl]benzonitrile Traditional Name: 5-fluoro-4-(4-isobutyrylpiperazino)-2-methyl-benzonitrile Formula: C16H20FN3O MolecularWeight: 289.347903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#N)F)N2CCN(CC2)C(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C#N)F)N2CCN(CC2)C(=O)C(C)C

InChI

InChI=1S/C16H20FN3O/c1-11(2)16(21)20-6-4-19(5-7-20)15-8-12(3)13(10-18)9-14(15)17/h8-9,11H,4-7H2,1-3H3