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

Systemtic Name: 2-[4-[7-ethoxy-2,3-bis(hydroxymethyl)-6-methoxy-naphthalen-1-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one hydrochloride Openeye Name: 2-[4-[7-ethoxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthyl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride CAS Name: 2-[4-[7-ethoxy-2,3-bis(hydroxymethyl)-6-methoxy-1-naphthalenyl]-2-pyridinyl]-4-(3-pyridinyl)-1-phthalazinone hydrochloride IUPAC Name: 2-[4-[7-ethoxy-2,3-bis(hydroxymethyl)-6-methoxynaphthalen-1-yl]pyridin-2-yl]-4-pyridin-3-ylphthalazin-1-one hydrochloride Traditional Name: 2-[4-(7-ethoxy-6-methoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride Formula: C33H29ClN4O5 MolecularWeight: 597.06016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C(=C(C=C2C=C1OC)CO)CO)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6.Cl

Isomeric SMILES

CCOC1=CC2=C(C(=C(C=C2C=C1OC)CO)CO)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6.Cl

InChI

InChI=1S/C33H28N4O5.ClH/c1-3-42-29-16-26-22(14-28(29)41-2)13-23(18-38)27(19-39)31(26)20-10-12-35-30(15-20)37-33(40)25-9-5-4-8-24(25)32(36-37)21-7-6-11-34-17-21;/h4-17,38-39H,3,18-19H2,1-2H3;1H