2-[2-[9-methoxy-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[2-[9-methoxy-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-[9-methoxy-7-(6-methoxy-2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[2-[9-methoxy-7-(6-methoxy-2-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-[9-methoxy-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-keto-2-[9-methoxy-7-(6-methoxy-2-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-phenyl-phthalazin-1-one Formula: C32H28N4O5 MolecularWeight: 548.58852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6

Isomeric SMILES

COC1=CC=CC(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6

InChI

InChI=1S/C32H28N4O5/c1-39-27-18-22(26-13-8-14-28(33-26)40-2)17-23-19-35(15-16-41-31(23)27)29(37)20-36-32(38)25-12-7-6-11-24(25)30(34-36)21-9-4-3-5-10-21/h3-14,17-18H,15-16,19-20H2,1-2H3