4-(1H-indazol-3-ylcarbonyl)-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(1H-indazol-3-ylcarbonyl)-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(1H-indazole-3-carbonyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[1H-indazol-3-yl(oxo)methyl]-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(1H-indazole-3-carbonyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-(1H-indazole-3-carbonyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C(=O)CN1C(=O)C2=NNC3=CC=CC=C32)CC4=CC=CC=C4)OCC5=CN=CC=C5

Isomeric SMILES

C1C(CN(C(=O)CN1C(=O)C2=NNC3=CC=CC=C32)CC4=CC=CC=C4)OCC5=CN=CC=C5

InChI

InChI=1S/C26H25N5O3/c32-24-17-31(26(33)25-22-10-4-5-11-23(22)28-29-25)16-21(34-18-20-9-6-12-27-13-20)15-30(24)14-19-7-2-1-3-8-19/h1-13,21H,14-18H2,(H,28,29)