3-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 3-[[4-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carbonyl]benzonitrile Formula: C29H27N3O3 MolecularWeight: 465.54298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C29H27N3O3/c1-34-28-9-3-2-8-26(28)22-10-11-27-24(17-22)18-25(35-27)20-31-12-5-13-32(15-14-31)29(33)23-7-4-6-21(16-23)19-30/h2-4,6-11,16-18H,5,12-15,20H2,1H3