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

Systemtic Name: 1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Openeye Name: 6-(2-pyridylmethoxy)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-6-(2-pyridinylmethoxy)-4-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-4-[(1-pyridin-2-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Traditional Name: 6-(2-pyridylmethoxy)-4-[[1-(2-pyridyl)pyrrol-2-yl]methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C27H33N5O3 MolecularWeight: 475.58262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)CC3=CC=CN3C4=CC=CC=N4)OCC5=CC=CC=N5

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)CC3=CC=CN3C4=CC=CC=N4)OCC5=CC=CC=N5

InChI

InChI=1S/C27H33N5O3/c33-27-20-30(17-24-7-5-13-32(24)26-8-2-4-12-29-26)18-25(35-21-23-6-1-3-11-28-23)19-31(27)16-22-9-14-34-15-10-22/h1-8,11-13,22,25H,9-10,14-21H2