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

Systemtic Name: N-(4-ethylphenyl)-4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Openeye Name: N-(4-ethylphenyl)-4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide CAS Name: N-(4-ethylphenyl)-4-[[5-(2-methoxyphenyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-ethylphenyl)-4-[[5-(2-methoxyphenyl)-1-benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Traditional Name: N-(4-ethylphenyl)-4-[[5-(2-methoxyphenyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide Formula: C30H33N3O3 MolecularWeight: 483.60132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC=CC=C5OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CC=CC=C5OC

InChI

InChI=1S/C30H33N3O3/c1-3-22-9-12-25(13-10-22)31-30(34)33-16-6-15-32(17-18-33)21-26-20-24-19-23(11-14-28(24)36-26)27-7-4-5-8-29(27)35-2/h4-5,7-14,19-20H,3,6,15-18,21H2,1-2H3,(H,31,34)