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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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