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

Systemtic Name: 4-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-acetyl-2-fluoro-phenyl)piperazino]methyl]benzonitrile Formula: C20H20FN3O MolecularWeight: 337.390703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O/c1-15(25)18-6-7-20(19(21)12-18)24-10-8-23(9-11-24)14-17-4-2-16(13-22)3-5-17/h2-7,12H,8-11,14H2,1H3