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

Systemtic Name: 1-(oxan-4-ylmethyl)-4-pyridin-2-ylcarbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(pyridine-2-carbonyl)-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 1-(4-oxanylmethyl)-4-[oxo(2-pyridinyl)methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(oxan-4-ylmethyl)-4-(pyridine-2-carbonyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-picolinoyl-6-(3-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=CC=CC=N3)OCC4=CN=CC=C4

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)C(=O)C3=CC=CC=N3)OCC4=CN=CC=C4

InChI

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