2-[2-[9-methoxy-7-(6-methoxypyridin-2-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]-4-methyl-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-methyl-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-methyl-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-methyl-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-methylphthalazin-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-methyl-phthalazin-1-one Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCOC4=C(C3)C=C(C=C4OC)C5=NC(=CC=C5)OC

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCOC4=C(C3)C=C(C=C4OC)C5=NC(=CC=C5)OC

InChI

InChI=1S/C27H26N4O5/c1-17-20-7-4-5-8-21(20)27(33)31(29-17)16-25(32)30-11-12-36-26-19(15-30)13-18(14-23(26)34-2)22-9-6-10-24(28-22)35-3/h4-10,13-14H,11-12,15-16H2,1-3H3