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

Systemtic Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Openeye Name: 1-[(4-methoxyphenyl)methyl]-6-(3-pyridylmethoxy)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-2-one CAS Name: 1-[(4-methoxyphenyl)methyl]-6-(3-pyridinylmethoxy)-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1,4-diazepan-2-one IUPAC Name: 1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethoxy)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Traditional Name: 1-p-anisyl-6-(3-pyridylmethoxy)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1,4-diazepan-2-one Formula: C29H31N5O3 MolecularWeight: 497.58814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O3/c1-36-26-11-9-23(10-12-26)17-33-20-27(37-22-24-6-4-13-30-16-24)19-32(21-29(33)35)18-25-7-5-15-34(25)28-8-2-3-14-31-28/h2-16,27H,17-22H2,1H3