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

Systemtic Name: N-(4-ethylphenyl)-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-ethylphenyl)-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-ethylphenyl)-4-[[5-(4-methylphenyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-ethylphenyl)-4-[[5-(4-methylphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-ethylphenyl)-4-[[5-(p-tolyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C30H33N3O2 MolecularWeight: 467.60192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)C

InChI

InChI=1S/C30H33N3O2/c1-3-23-7-12-27(13-8-23)31-30(34)33-16-4-15-32(17-18-33)21-28-20-26-19-25(11-14-29(26)35-28)24-9-5-22(2)6-10-24/h5-14,19-20H,3-4,15-18,21H2,1-2H3,(H,31,34)