4-(4-ethanoylphenyl)carbonyl-1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(4-ethanoylphenyl)carbonyl-1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(4-acetylbenzoyl)-1-[(4-methoxyphenyl)methyl]-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(4-acetylphenyl)-oxomethyl]-1-[(4-methoxyphenyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(4-acetylbenzoyl)-1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(4-acetylbenzoyl)-1-p-anisyl-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=C(C=C3)OC)OCC4=CN=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=C(C=C3)OC)OCC4=CN=CC=C4

InChI

InChI=1S/C28H29N3O5/c1-20(32)23-7-9-24(10-8-23)28(34)31-17-26(36-19-22-4-3-13-29-14-22)16-30(27(33)18-31)15-21-5-11-25(35-2)12-6-21/h3-14,26H,15-19H2,1-2H3