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

Systemtic Name: 1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Openeye Name: 6-(2-pyridylmethoxy)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-6-(2-pyridinylmethoxy)-4-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-6-(pyridin-2-ylmethoxy)-4-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-1,4-diazepan-2-one Traditional Name: 6-(2-pyridylmethoxy)-4-[[1-(3-pyridyl)pyrrol-2-yl]methyl]-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C27H33N5O3 MolecularWeight: 475.58262

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)CC3=CC=CN3C4=CN=CC=C4)OCC5=CC=CC=N5

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)CC3=CC=CN3C4=CN=CC=C4)OCC5=CC=CC=N5

InChI

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