2-[4-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(4-acetyl-2-fluoro-phenyl)piperazino]methyl]phenyl]benzonitrile Formula: C26H24FN3O MolecularWeight: 413.486663

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=C(C=C3)C4=CC=CC=C4C#N)F

InChI

InChI=1S/C26H24FN3O/c1-19(31)22-10-11-26(25(27)16-22)30-14-12-29(13-15-30)18-20-6-8-21(9-7-20)24-5-3-2-4-23(24)17-28/h2-11,16H,12-15,18H2,1H3