3-[4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]piperazine-1-carbonyl]benzonitrile Formula: C27H22FN3O2 MolecularWeight: 439.480883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)F)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(O2)C=CC(=C3)C4=CC(=CC=C4)F)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H22FN3O2/c28-24-6-2-4-20(15-24)21-7-8-26-23(14-21)16-25(33-26)18-30-9-11-31(12-10-30)27(32)22-5-1-3-19(13-22)17-29/h1-8,13-16H,9-12,18H2