3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]benzonitrile Formula: C20H18FN3O2 MolecularWeight: 351.374223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O2/c1-14(25)16-5-6-19(18(21)12-16)23-7-9-24(10-8-23)20(26)17-4-2-3-15(11-17)13-22/h2-6,11-12H,7-10H2,1H3