N-(2-methoxyphenyl)-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(2-methoxyphenyl)-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(2-methoxyphenyl)-4-[[5-(3-pyridinyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-methoxyphenyl)-4-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(2-methoxyphenyl)-4-[[5-(3-pyridyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C27H28N4O3 MolecularWeight: 456.53622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CN=CC=C5

InChI

InChI=1S/C27H28N4O3/c1-33-26-8-3-2-7-24(26)29-27(32)31-13-5-12-30(14-15-31)19-23-17-22-16-20(9-10-25(22)34-23)21-6-4-11-28-18-21/h2-4,6-11,16-18H,5,12-15,19H2,1H3,(H,29,32)