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

Systemtic Name: 2-[2-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[2-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-[7-(1,3-benzothiazol-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-keto-ethyl]-4-phenyl-phthalazin-1-one Formula: C33H26N4O4S MolecularWeight: 574.64894

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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=NC7=CC=CC=C7S6

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C6=NC7=CC=CC=C7S6

InChI

InChI=1S/C33H26N4O4S/c1-40-27-18-22(32-34-26-13-7-8-14-28(26)42-32)17-23-19-36(15-16-41-31(23)27)29(38)20-37-33(39)25-12-6-5-11-24(25)30(35-37)21-9-3-2-4-10-21/h2-14,17-18H,15-16,19-20H2,1H3