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

Systemtic Name: 3-[[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 3-[[4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 3-[4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carbonyl]benzonitrile Formula: C29H27N3O2 MolecularWeight: 449.54358

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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)C5=CC=CC(=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O2/c1-21-6-8-23(9-7-21)24-10-11-28-26(17-24)18-27(34-28)20-31-12-3-13-32(15-14-31)29(33)25-5-2-4-22(16-25)19-30/h2,4-11,16-18H,3,12-15,20H2,1H3