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

Systemtic Name: 2-[2-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxidanylidene-ethyl]-4-(phenylmethyl)phthalazin-1-one Openeye Name: 4-benzyl-2-[2-[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]phthalazin-1-one CAS Name: 2-[2-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]-4-(phenylmethyl)-1-phthalazinone IUPAC Name: 4-benzyl-2-[2-(9-methoxy-7-thiophen-2-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]phthalazin-1-one Traditional Name: 4-benzyl-2-[2-keto-2-[9-methoxy-7-(2-thienyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]phthalazin-1-one Formula: C31H27N3O4S MolecularWeight: 537.62878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C31H27N3O4S/c1-37-27-18-22(28-12-7-15-39-28)17-23-19-33(13-14-38-30(23)27)29(35)20-34-31(36)25-11-6-5-10-24(25)26(32-34)16-21-8-3-2-4-9-21/h2-12,15,17-18H,13-14,16,19-20H2,1H3