2-[4-[2,3-bis(hydroxymethyl)-7-methoxy-6-oxidanyl-naphthalen-1-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one hydrochloride

Systemtic Name: 2-[4-[2,3-bis(hydroxymethyl)-7-methoxy-6-oxidanyl-naphthalen-1-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one hydrochloride Openeye Name: 2-[4-[6-hydroxy-2,3-bis(hydroxymethyl)-7-methoxy-1-naphthyl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride CAS Name: 2-[4-[6-hydroxy-2,3-bis(hydroxymethyl)-7-methoxy-1-naphthalenyl]-2-pyridinyl]-4-(3-pyridinyl)-1-phthalazinone hydrochloride IUPAC Name: 2-[4-[6-hydroxy-2,3-bis(hydroxymethyl)-7-methoxynaphthalen-1-yl]pyridin-2-yl]-4-pyridin-3-ylphthalazin-1-one hydrochloride Traditional Name: 2-[4-(6-hydroxy-7-methoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride Formula: C31H25ClN4O5 MolecularWeight: 569.007

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C(C=C2C=C1O)CO)CO)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6.Cl

Isomeric SMILES

COC1=CC2=C(C(=C(C=C2C=C1O)CO)CO)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6.Cl

InChI

InChI=1S/C31H24N4O5.ClH/c1-40-27-14-24-20(12-26(27)38)11-21(16-36)25(17-37)29(24)18-8-10-33-28(13-18)35-31(39)23-7-3-2-6-22(23)30(34-35)19-5-4-9-32-15-19;/h2-15,36-38H,16-17H2,1H3;1H