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

Systemtic Name: 2-[1-[3-(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]-2H-pyridin-6-yl]-4-pyridin-3-yl-phthalazin-1-one hydrochloride Openeye Name: 2-[1-[3-(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2H-pyridin-6-yl]-4-(3-pyridyl)phthalazin-1-one hydrochloride CAS Name: 2-[1-[3-(hydroxymethyl)-6,7-dimethoxy-1-naphthalenyl]-2H-pyridin-6-yl]-4-(3-pyridinyl)-1-phthalazinone hydrochloride IUPAC Name: 2-[1-[3-(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]-2H-pyridin-6-yl]-4-pyridin-3-ylphthalazin-1-one hydrochloride Traditional Name: 2-[1-(6,7-dimethoxy-3-methylol-1-naphthyl)-2H-pyridin-6-yl]-4-(3-pyridyl)phthalazin-1-one hydrochloride Formula: C31H27ClN4O4 MolecularWeight: 555.02348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=CC(=C2C=C1OC)N3CC=CC=C3N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)CO.Cl

Isomeric SMILES

COC1=CC2=CC(=CC(=C2C=C1OC)N3CC=CC=C3N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)CO.Cl

InChI

InChI=1S/C31H26N4O4.ClH/c1-38-27-16-22-14-20(19-36)15-26(25(22)17-28(27)39-2)34-13-6-5-11-29(34)35-31(37)24-10-4-3-9-23(24)30(33-35)21-8-7-12-32-18-21;/h3-12,14-18,36H,13,19H2,1-2H3;1H