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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-4-(4-phenylbutanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-4-(4-phenylbutanoyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-4-(1-oxo-4-phenylbutyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-4-(4-phenylbutanoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-p-anisyl-4-(4-phenylbutanoyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)CCCC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)CCCC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C29H33N3O4/c1-35-26-14-12-24(13-15-26)18-31-19-27(36-22-25-10-6-16-30-17-25)20-32(21-29(31)34)28(33)11-5-9-23-7-3-2-4-8-23/h2-4,6-8,10,12-17,27H,5,9,11,18-22H2,1H3