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

Systemtic Name: 3-[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C28H25N3O6 MolecularWeight: 499.5146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H25N3O6/c1-36-22-14-18-12-13-30(26(17-8-4-3-5-9-17)21(18)15-23(22)37-2)24(32)16-31-27(33)20-11-7-6-10-19(20)25(29-31)28(34)35/h3-11,14-15,26H,12-13,16H2,1-2H3,(H,34,35)