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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-4-(3-pyridin-2-ylpropanoyl)-1,4-diazepan-2-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-6-(4-pyridylmethoxy)-4-[3-(2-pyridyl)propanoyl]-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-4-[1-oxo-3-(2-pyridinyl)propyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-4-(3-pyridin-2-ylpropanoyl)-1,4-diazepan-2-one Traditional Name: 1-p-anisyl-6-(4-pyridylmethoxy)-4-[3-(2-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=CC=CC=N3)OCC4=CC=NC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)C(=O)CCC3=CC=CC=N3)OCC4=CC=NC=C4

InChI

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