1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine

Systemtic Name: 1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine Openeye Name: 1-[[5-(p-tolyl)benzofuran-2-yl]methyl]-4-(3-pyridylmethyl)piperazine CAS Name: 1-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-4-(3-pyridinylmethyl)piperazine IUPAC Name: 1-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-4-(pyridin-3-ylmethyl)piperazine Traditional Name: 1-[[5-(p-tolyl)benzofuran-2-yl]methyl]-4-(3-pyridylmethyl)piperazine Formula: C26H27N3O MolecularWeight: 397.51208

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O/c1-20-4-6-22(7-5-20)23-8-9-26-24(15-23)16-25(30-26)19-29-13-11-28(12-14-29)18-21-3-2-10-27-17-21/h2-10,15-17H,11-14,18-19H2,1H3