4-(3H-benzimidazol-5-ylcarbonyl)-1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(3H-benzimidazol-5-ylcarbonyl)-1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(3H-benzimidazole-5-carbonyl)-1-[(4-methoxyphenyl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[3H-benzimidazol-5-yl(oxo)methyl]-1-[(4-methoxyphenyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(3H-benzimidazole-5-carbonyl)-1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(3H-benzimidazole-5-carbonyl)-1-p-anisyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)C3=CC4=C(C=C3)N=CN4)OCC5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)C3=CC4=C(C=C3)N=CN4)OCC5=CN=CC=C5

InChI

InChI=1S/C27H27N5O4/c1-35-22-7-4-19(5-8-22)13-31-14-23(36-17-20-3-2-10-28-12-20)15-32(16-26(31)33)27(34)21-6-9-24-25(11-21)30-18-29-24/h2-12,18,23H,13-17H2,1H3,(H,29,30)