2-[2-(9-methoxy-7-pyridin-3-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-pyridin-3-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-(3-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-(3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-(9-methoxy-7-pyridin-3-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-(3-pyridyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-phenyl-phthalazin-1-one Formula: C31H26N4O4 MolecularWeight: 518.56254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C31H26N4O4/c1-38-27-17-23(22-10-7-13-32-18-22)16-24-19-34(14-15-39-30(24)27)28(36)20-35-31(37)26-12-6-5-11-25(26)29(33-35)21-8-3-2-4-9-21/h2-13,16-18H,14-15,19-20H2,1H3