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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-4-(3-pyridin-3-ylpropanoyl)-1,4-diazepan-2-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-6-(4-pyridylmethoxy)-4-[3-(3-pyridyl)propanoyl]-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-4-[1-oxo-3-(3-pyridinyl)propyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-4-(3-pyridin-3-ylpropanoyl)-1,4-diazepan-2-one Traditional Name: 1-p-anisyl-6-(4-pyridylmethoxy)-4-[3-(3-pyridyl)propanoyl]-1,4-diazepan-2-one Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)CCC3=CN=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)CCC3=CN=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C27H30N4O4/c1-34-24-7-4-22(5-8-24)16-30-17-25(35-20-23-10-13-28-14-11-23)18-31(19-27(30)33)26(32)9-6-21-3-2-12-29-15-21/h2-5,7-8,10-15,25H,6,9,16-20H2,1H3