(3-methoxyphenyl)-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-methoxyphenyl)-[4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methoxyphenyl)-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-methoxyphenyl)-[4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepan-1-yl]methanone Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5

InChI

InChI=1S/C26H26N2O3S/c1-30-23-5-2-4-20(15-23)26(29)28-10-3-9-27(11-12-28)17-24-16-22-14-19(6-7-25(22)31-24)21-8-13-32-18-21/h2,4-8,13-16,18H,3,9-12,17H2,1H3