N-(2-methoxyphenyl)-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-methoxyphenyl)-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-methoxyphenyl)-4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-methoxyphenyl)-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-methoxyphenyl)-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C29H31N3O3 MolecularWeight: 469.57474

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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)NC5=CC=CC=C5OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)CN4CCCN(CC4)C(=O)NC5=CC=CC=C5OC

InChI

InChI=1S/C29H31N3O3/c1-21-8-10-22(11-9-21)23-12-13-27-24(18-23)19-25(35-27)20-31-14-5-15-32(17-16-31)29(33)30-26-6-3-4-7-28(26)34-2/h3-4,6-13,18-19H,5,14-17,20H2,1-2H3,(H,30,33)