4-[3-(1H-benzimidazol-2-yl)propanoyl]-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-[3-(1H-benzimidazol-2-yl)propanoyl]-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-[3-(1H-benzimidazol-2-yl)propanoyl]-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[3-(1H-benzimidazol-2-yl)-1-oxopropyl]-1-(4-oxanylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-[3-(1H-benzimidazol-2-yl)propanoyl]-1-(oxan-4-ylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-[3-(1H-benzimidazol-2-yl)propanoyl]-6-(3-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C27H33N5O4 MolecularWeight: 491.58202

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)C(=O)CCC3=NC4=CC=CC=C4N3)OCC5=CN=CC=C5

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)C(=O)CCC3=NC4=CC=CC=C4N3)OCC5=CN=CC=C5

InChI

InChI=1S/C27H33N5O4/c33-26(8-7-25-29-23-5-1-2-6-24(23)30-25)32-17-22(36-19-21-4-3-11-28-14-21)16-31(27(34)18-32)15-20-9-12-35-13-10-20/h1-6,11,14,20,22H,7-10,12-13,15-19H2,(H,29,30)