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

Systemtic Name: 3-[[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]piperazino]methyl]benzonitrile Formula: C28H27N3O MolecularWeight: 421.53348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCN(CC4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C28H27N3O/c1-21-5-7-24(8-6-21)25-9-10-28-26(16-25)17-27(32-28)20-31-13-11-30(12-14-31)19-23-4-2-3-22(15-23)18-29/h2-10,15-17H,11-14,19-20H2,1H3