2-[2-[7-(3,6-dimethylpyrazin-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-(3,6-dimethylpyrazin-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-(3,6-dimethylpyrazin-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-(3,6-dimethyl-2-pyrazinyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-[7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-[7-(3,6-dimethylpyrazin-2-yl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-keto-ethyl]-4-phenyl-phthalazin-1-one Formula: C32H29N5O4 MolecularWeight: 547.60376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CN=C(C(=N1)C2=CC3=C(C(=C2)OC)OCCN(C3)C(=O)CN4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6)C

InChI

InChI=1S/C32H29N5O4/c1-20-17-33-21(2)29(34-20)23-15-24-18-36(13-14-41-31(24)27(16-23)40-3)28(38)19-37-32(39)26-12-8-7-11-25(26)30(35-37)22-9-5-4-6-10-22/h4-12,15-17H,13-14,18-19H2,1-3H3