1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]ethanone Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C(=O)C

InChI

InChI=1S/C23H26N2O2/c1-17-4-6-19(7-5-17)20-8-9-23-21(14-20)15-22(27-23)16-24-10-3-11-25(13-12-24)18(2)26/h4-9,14-15H,3,10-13,16H2,1-2H3