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

Systemtic Name: 6,7-diethoxy-4-[6-(1-oxidanylidene-4-pyridin-3-yl-phthalazin-2-yl)-1,2-dihydropyridin-4-yl]-2-(pyridin-3-ylmethyl)phthalazin-1-one Openeye Name: 6,7-diethoxy-4-[6-[1-oxo-4-(3-pyridyl)phthalazin-2-yl]-1,2-dihydropyridin-4-yl]-2-(3-pyridylmethyl)phthalazin-1-one CAS Name: 6,7-diethoxy-4-[6-[1-oxo-4-(3-pyridinyl)-2-phthalazinyl]-1,2-dihydropyridin-4-yl]-2-(3-pyridinylmethyl)-1-phthalazinone IUPAC Name: 6,7-diethoxy-4-[6-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)-1,2-dihydropyridin-4-yl]-2-(pyridin-3-ylmethyl)phthalazin-1-one Traditional Name: 6,7-diethoxy-4-[6-[1-keto-4-(3-pyridyl)phthalazin-2-yl]-1,2-dihydropyridin-4-yl]-2-(3-pyridylmethyl)phthalazin-1-one Formula: C36H31N7O4 MolecularWeight: 625.67584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=NN(C2=O)CC3=CN=CC=C3)C4=CCNC(=C4)N5C(=O)C6=CC=CC=C6C(=N5)C7=CN=CC=C7)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=NN(C2=O)CC3=CN=CC=C3)C4=CCNC(=C4)N5C(=O)C6=CC=CC=C6C(=N5)C7=CN=CC=C7)OCC

InChI

InChI=1S/C36H31N7O4/c1-3-46-30-18-28-29(19-31(30)47-4-2)35(44)42(22-23-9-7-14-37-20-23)40-33(28)24-13-16-39-32(17-24)43-36(45)27-12-6-5-11-26(27)34(41-43)25-10-8-15-38-21-25/h5-15,17-21,39H,3-4,16,22H2,1-2H3