5-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-quinolin-4-yl]-2-pyridin-2-yl-4-pyridin-3-yl-phthalazin-1-one

Systemtic Name: 5-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-quinolin-4-yl]-2-pyridin-2-yl-4-pyridin-3-yl-phthalazin-1-one Openeye Name: 5-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-4-quinolyl]-2-(2-pyridyl)-4-(3-pyridyl)phthalazin-1-one CAS Name: 5-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-4-quinolinyl]-2-(2-pyridinyl)-4-(3-pyridinyl)-1-phthalazinone IUPAC Name: 5-[2,3-bis(hydroxymethyl)-6,7-dimethoxyquinolin-4-yl]-2-pyridin-2-yl-4-pyridin-3-ylphthalazin-1-one Traditional Name: 5-(6,7-dimethoxy-2,3-dimethylol-4-quinolyl)-2-(2-pyridyl)-4-(3-pyridyl)phthalazin-1-one Formula: C31H25N5O5 MolecularWeight: 547.5607

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C(=N2)CO)CO)C3=CC=CC4=C3C(=NN(C4=O)C5=CC=CC=N5)C6=CN=CC=C6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C(=N2)CO)CO)C3=CC=CC4=C3C(=NN(C4=O)C5=CC=CC=N5)C6=CN=CC=C6)OC

InChI

InChI=1S/C31H25N5O5/c1-40-25-13-21-23(14-26(25)41-2)34-24(17-38)22(16-37)28(21)19-8-5-9-20-29(19)30(18-7-6-11-32-15-18)35-36(31(20)39)27-10-3-4-12-33-27/h3-15,37-38H,16-17H2,1-2H3