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

Systemtic Name: 2-[4-[6,7-diethoxy-3-(hydroxymethyl)isoquinolin-1-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one hydrochloride Openeye Name: 2-[4-[6,7-diethoxy-3-(hydroxymethyl)-1-isoquinolyl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride CAS Name: 2-[4-[6,7-diethoxy-3-(hydroxymethyl)-1-isoquinolinyl]-2-pyridinyl]-4-(3-pyridinyl)-1-phthalazinone hydrochloride IUPAC Name: 2-[4-[6,7-diethoxy-3-(hydroxymethyl)isoquinolin-1-yl]pyridin-2-yl]-4-pyridin-3-ylphthalazin-1-one hydrochloride Traditional Name: 2-[4-(6,7-diethoxy-3-methylol-1-isoquinolyl)-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride Formula: C32H28ClN5O4 MolecularWeight: 582.04882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C=C(N=C2C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)CO)OCC.Cl

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C=C(N=C2C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)CO)OCC.Cl

InChI

InChI=1S/C32H27N5O4.ClH/c1-3-40-27-15-22-14-23(19-38)35-30(26(22)17-28(27)41-4-2)20-11-13-34-29(16-20)37-32(39)25-10-6-5-9-24(25)31(36-37)21-8-7-12-33-18-21;/h5-18,38H,3-4,19H2,1-2H3;1H