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

Systemtic Name: 3-[[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C29H29N3O MolecularWeight: 435.56006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)CC5=CC=CC(=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C29H29N3O/c1-22-6-8-25(9-7-22)26-10-11-29-27(17-26)18-28(33-29)21-32-13-3-12-31(14-15-32)20-24-5-2-4-23(16-24)19-30/h2,4-11,16-18H,3,12-15,20-21H2,1H3