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

Systemtic Name: 2-[4-[6-butoxy-2,3-bis(hydroxymethyl)-7-methoxy-naphthalen-1-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one hydrochloride Openeye Name: 2-[4-[6-butoxy-2,3-bis(hydroxymethyl)-7-methoxy-1-naphthyl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride CAS Name: 2-[4-[6-butoxy-2,3-bis(hydroxymethyl)-7-methoxy-1-naphthalenyl]-2-pyridinyl]-4-(3-pyridinyl)-1-phthalazinone hydrochloride IUPAC Name: 2-[4-[6-butoxy-2,3-bis(hydroxymethyl)-7-methoxynaphthalen-1-yl]pyridin-2-yl]-4-pyridin-3-ylphthalazin-1-one hydrochloride Traditional Name: 2-[4-(6-butoxy-7-methoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride Formula: C35H33ClN4O5 MolecularWeight: 625.11332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)CO)CO.Cl

Isomeric SMILES

CCCCOC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)CO)CO.Cl

InChI

InChI=1S/C35H32N4O5.ClH/c1-3-4-14-44-31-16-24-15-25(20-40)29(21-41)33(28(24)18-30(31)43-2)22-11-13-37-32(17-22)39-35(42)27-10-6-5-9-26(27)34(38-39)23-8-7-12-36-19-23;/h5-13,15-19,40-41H,3-4,14,20-21H2,1-2H3;1H