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

Systemtic Name: 3-[[4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[[5-(3-fluorophenyl)-2-benzofuranyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[[5-(3-fluorophenyl)benzofuran-2-yl]methyl]piperazino]methyl]benzonitrile Formula: C27H24FN3O MolecularWeight: 425.497363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)CC3=CC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H24FN3O/c28-25-6-2-5-22(15-25)23-7-8-27-24(14-23)16-26(32-27)19-31-11-9-30(10-12-31)18-21-4-1-3-20(13-21)17-29/h1-8,13-16H,9-12,18-19H2