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

Systemtic Name: N-(2-methoxyphenyl)-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide hydrochloride Openeye Name: N-(2-methoxyphenyl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide hydrochloride CAS Name: N-(2-methoxyphenyl)-4-[[5-(3-thiophenyl)-2-benzofuranyl]methyl]-1,4-diazepane-1-carboxamide hydrochloride IUPAC Name: N-(2-methoxyphenyl)-4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carboxamide hydrochloride Traditional Name: N-(2-methoxyphenyl)-4-[[5-(3-thienyl)benzofuran-2-yl]methyl]-1,4-diazepane-1-carboxamide hydrochloride Formula: C26H28ClN3O3S MolecularWeight: 498.03682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5.Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=O)N2CCCN(CC2)CC3=CC4=C(O3)C=CC(=C4)C5=CSC=C5.Cl

InChI

InChI=1S/C26H27N3O3S.ClH/c1-31-25-6-3-2-5-23(25)27-26(30)29-11-4-10-28(12-13-29)17-22-16-21-15-19(7-8-24(21)32-22)20-9-14-33-18-20;/h2-3,5-9,14-16,18H,4,10-13,17H2,1H3,(H,27,30);1H