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

Systemtic Name: 3-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C29H29N3O2 MolecularWeight: 451.55946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C29H29N3O2/c1-33-29-9-3-2-8-27(29)24-10-11-28-25(17-24)18-26(34-28)21-32-13-5-12-31(14-15-32)20-23-7-4-6-22(16-23)19-30/h2-4,6-11,16-18H,5,12-15,20-21H2,1H3