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

Systemtic Name: 2-[2-[7-(3-chlorophenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxidanylidene-ethyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-[7-(3-chlorophenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[2-[7-(3-chlorophenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-[7-(3-chlorophenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-[7-(3-chlorophenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-keto-ethyl]-4-phenyl-phthalazin-1-one Formula: C32H26ClN3O4 MolecularWeight: 552.01954

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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=CC(=CC=C6)Cl

Isomeric SMILES

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

InChI

InChI=1S/C32H26ClN3O4/c1-39-28-18-23(22-10-7-11-25(33)17-22)16-24-19-35(14-15-40-31(24)28)29(37)20-36-32(38)27-13-6-5-12-26(27)30(34-36)21-8-3-2-4-9-21/h2-13,16-18H,14-15,19-20H2,1H3