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

Systemtic Name: 2-[2-[7-(5-chloranyl-2-methoxy-phenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-[7-(5-chloro-2-methoxy-phenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[2-[7-(5-chloro-2-methoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-[7-(5-chloro-2-methoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-[7-(5-chloro-2-methoxy-phenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-keto-ethyl]-4-phenyl-phthalazin-1-one Formula: C33H28ClN3O5 MolecularWeight: 582.04552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6

InChI

InChI=1S/C33H28ClN3O5/c1-40-28-13-12-24(34)18-27(28)22-16-23-19-36(14-15-42-32(23)29(17-22)41-2)30(38)20-37-33(39)26-11-7-6-10-25(26)31(35-37)21-8-4-3-5-9-21/h3-13,16-18H,14-15,19-20H2,1-2H3