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

Systemtic Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-2-methyl-quinolin-4-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one hydrochloride Openeye Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-2-methyl-4-quinolyl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride CAS Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-2-methyl-4-quinolinyl]-2-pyridinyl]-4-(3-pyridinyl)-1-phthalazinone hydrochloride IUPAC Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-2-methylquinolin-4-yl]pyridin-2-yl]-4-pyridin-3-ylphthalazin-1-one hydrochloride Traditional Name: 2-[4-(6,7-dimethoxy-2-methyl-3-methylol-4-quinolyl)-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride Formula: C31H26ClN5O4 MolecularWeight: 568.02224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2C(=C1CO)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)OC)OC.Cl

Isomeric SMILES

CC1=NC2=CC(=C(C=C2C(=C1CO)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)OC)OC.Cl

InChI

InChI=1S/C31H25N5O4.ClH/c1-18-24(17-37)29(23-14-26(39-2)27(40-3)15-25(23)34-18)19-10-12-33-28(13-19)36-31(38)22-9-5-4-8-21(22)30(35-36)20-7-6-11-32-16-20;/h4-16,37H,17H2,1-3H3;1H