1-(oxan-4-ylmethyl)-4-pyridin-3-ylcarbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-(oxan-4-ylmethyl)-4-pyridin-3-ylcarbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(pyridine-3-carbonyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[oxo(3-pyridinyl)methyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-4-(pyridine-3-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-nicotinoyl-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)C(=O)C3=CN=CC=C3)OCC4=CC=NC=C4

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)C(=O)C3=CN=CC=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C23H28N4O4/c28-22-16-27(23(29)20-2-1-7-25-12-20)15-21(31-17-19-3-8-24-9-4-19)14-26(22)13-18-5-10-30-11-6-18/h1-4,7-9,12,18,21H,5-6,10-11,13-17H2