3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)OC

InChI

InChI=1S/C22H21N3O6/c1-30-17-9-13-7-8-24(11-14(13)10-18(17)31-2)19(26)12-25-21(27)16-6-4-3-5-15(16)20(23-25)22(28)29/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,28,29)