6,7-dimethoxy-4-[2-(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)pyridin-4-yl]-2-(pyridin-4-ylmethyl)phthalazin-1-one dihydrochloride

Systemtic Name: 6,7-dimethoxy-4-[2-(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)pyridin-4-yl]-2-(pyridin-4-ylmethyl)phthalazin-1-one dihydrochloride Openeye Name: 6,7-dimethoxy-4-[2-[1-oxo-4-(3-pyridyl)phthalazin-2-yl]-4-pyridyl]-2-(4-pyridylmethyl)phthalazin-1-one dihydrochloride CAS Name: 6,7-dimethoxy-4-[2-[1-oxo-4-(3-pyridinyl)-2-phthalazinyl]-4-pyridinyl]-2-(pyridin-4-ylmethyl)-1-phthalazinone dihydrochloride IUPAC Name: 6,7-dimethoxy-4-[2-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)pyridin-4-yl]-2-(pyridin-4-ylmethyl)phthalazin-1-one dihydrochloride Traditional Name: 4-[2-[1-keto-4-(3-pyridyl)phthalazin-2-yl]-4-pyridyl]-6,7-dimethoxy-2-(4-pyridylmethyl)phthalazin-1-one dihydrochloride Formula: C34H27Cl2N7O4 MolecularWeight: 668.52868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NN(C2=O)CC3=CC=NC=C3)C4=CC(=NC=C4)N5C(=O)C6=CC=CC=C6C(=N5)C7=CN=CC=C7)OC.Cl.Cl

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NN(C2=O)CC3=CC=NC=C3)C4=CC(=NC=C4)N5C(=O)C6=CC=CC=C6C(=N5)C7=CN=CC=C7)OC.Cl.Cl

InChI

InChI=1S/C34H25N7O4.2ClH/c1-44-28-17-26-27(18-29(28)45-2)33(42)40(20-21-9-13-35-14-10-21)38-31(26)22-11-15-37-30(16-22)41-34(43)25-8-4-3-7-24(25)32(39-41)23-6-5-12-36-19-23;;/h3-19H,20H2,1-2H3;2*1H