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

Systemtic Name: 2-[2-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]-4-methyl-phthalazin-1-one Openeye Name: 2-[2-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]-4-methyl-phthalazin-1-one CAS Name: 2-[2-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[2-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one Traditional Name: 2-[2-[7-(2,6-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-keto-ethyl]-4-methyl-phthalazin-1-one Formula: C29H29N3O6 MolecularWeight: 515.55706

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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=C(C=CC=C5OC)OC

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CC(=O)N3CCOC4=C(C3)C=C(C=C4OC)C5=C(C=CC=C5OC)OC

InChI

InChI=1S/C29H29N3O6/c1-18-21-8-5-6-9-22(21)29(34)32(30-18)17-26(33)31-12-13-38-28-20(16-31)14-19(15-25(28)37-4)27-23(35-2)10-7-11-24(27)36-3/h5-11,14-15H,12-13,16-17H2,1-4H3