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

Systemtic Name: 2-[2-[9-methoxy-7-(3-methoxyphenyl)-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-methoxyphenyl)-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-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-[9-methoxy-7-(3-methoxyphenyl)-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-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-phenyl-phthalazin-1-one Formula: C33H29N3O5 MolecularWeight: 547.60046

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H29N3O5/c1-39-26-12-8-11-23(18-26)24-17-25-20-35(15-16-41-32(25)29(19-24)40-2)30(37)21-36-33(38)28-14-7-6-13-27(28)31(34-36)22-9-4-3-5-10-22/h3-14,17-19H,15-16,20-21H2,1-2H3