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

Systemtic Name: 4-(1H-indazol-3-ylcarbonyl)-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 4-(1H-indazole-3-carbonyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one CAS Name: 4-[1H-indazol-3-yl(oxo)methyl]-1-(4-oxanylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 4-(1H-indazole-3-carbonyl)-1-(oxan-4-ylmethyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 4-(1H-indazole-3-carbonyl)-6-(4-pyridylmethoxy)-1-(tetrahydropyran-4-ylmethyl)-1,4-diazepan-2-one Formula: C25H29N5O4 MolecularWeight: 463.52886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CN2CC(CN(CC2=O)C(=O)C3=NNC4=CC=CC=C43)OCC5=CC=NC=C5

Isomeric SMILES

C1COCCC1CN2CC(CN(CC2=O)C(=O)C3=NNC4=CC=CC=C43)OCC5=CC=NC=C5

InChI

InChI=1S/C25H29N5O4/c31-23-16-30(25(32)24-21-3-1-2-4-22(21)27-28-24)15-20(34-17-19-5-9-26-10-6-19)14-29(23)13-18-7-11-33-12-8-18/h1-6,9-10,18,20H,7-8,11-17H2,(H,27,28)