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

Systemtic Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-quinolin-4-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one hydrochloride Openeye Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-4-quinolyl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride CAS Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-4-quinolinyl]-2-pyridinyl]-4-(3-pyridinyl)-1-phthalazinone hydrochloride IUPAC Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxyquinolin-4-yl]pyridin-2-yl]-4-pyridin-3-ylphthalazin-1-one hydrochloride Traditional Name: 2-[4-(6,7-dimethoxy-3-methylol-4-quinolyl)-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride Formula: C30H24ClN5O4 MolecularWeight: 553.99566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H23N5O4.ClH/c1-38-25-13-23-24(14-26(25)39-2)33-16-20(17-36)28(23)18-9-11-32-27(12-18)35-30(37)22-8-4-3-7-21(22)29(34-35)19-6-5-10-31-15-19;/h3-16,36H,17H2,1-2H3;1H