1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-6-(4-pyridylmethoxy)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-4-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-4-ylmethoxy)-4-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Traditional Name: 1-p-anisyl-6-(4-pyridylmethoxy)-4-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-1,4-diazepan-2-one Formula: C28H30N6O3 MolecularWeight: 498.5762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)CC3=CC=CN3C4=NC=CC=N4)OCC5=CC=NC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2CC(CN(CC2=O)CC3=CC=CN3C4=NC=CC=N4)OCC5=CC=NC=C5

InChI

InChI=1S/C28H30N6O3/c1-36-25-7-5-22(6-8-25)16-33-19-26(37-21-23-9-13-29-14-10-23)18-32(20-27(33)35)17-24-4-2-15-34(24)28-30-11-3-12-31-28/h2-15,26H,16-21H2,1H3