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

Systemtic Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-quinolin-4-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one Openeye Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-4-quinolyl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one CAS Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-4-quinolinyl]-2-pyridinyl]-4-(3-pyridinyl)-1-phthalazinone IUPAC Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxyquinolin-4-yl]pyridin-2-yl]-4-pyridin-3-ylphthalazin-1-one Traditional Name: 2-[4-(6,7-dimethoxy-2,3-dimethylol-4-quinolyl)-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(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C(=N2)CO)CO)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)OC

InChI

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