3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-4-keto-phthalazin-1-olate Formula: C22H22N3O5- MolecularWeight: 408.42718

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCN3C(=O)C4=CC=CC=C4C(=N3)[O-])OC

InChI

InChI=1S/C22H23N3O5/c1-29-18-11-14-7-9-24(13-15(14)12-19(18)30-2)20(26)8-10-25-22(28)17-6-4-3-5-16(17)21(27)23-25/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,27)/p-1