2-[4-[2,3-bis(hydroxymethyl)-7-methoxy-6-octoxy-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-octoxy-naphthalen-1-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one hydrochloride Openeye Name: 2-[4-[2,3-bis(hydroxymethyl)-7-methoxy-6-octoxy-1-naphthyl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride CAS Name: 2-[4-[2,3-bis(hydroxymethyl)-7-methoxy-6-octoxy-1-naphthalenyl]-2-pyridinyl]-4-(3-pyridinyl)-1-phthalazinone hydrochloride IUPAC Name: 2-[4-[2,3-bis(hydroxymethyl)-7-methoxy-6-octoxynaphthalen-1-yl]pyridin-2-yl]-4-pyridin-3-ylphthalazin-1-one hydrochloride Traditional Name: 2-[4-(7-methoxy-2,3-dimethylol-6-octoxy-1-naphthyl)-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one hydrochloride Formula: C39H41ClN4O5 MolecularWeight: 681.21964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=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

CCCCCCCCOC1=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/C39H40N4O5.ClH/c1-3-4-5-6-7-10-18-48-35-20-28-19-29(24-44)33(25-45)37(32(28)22-34(35)47-2)26-15-17-41-36(21-26)43-39(46)31-14-9-8-13-30(31)38(42-43)27-12-11-16-40-23-27;/h8-9,11-17,19-23,44-45H,3-7,10,18,24-25H2,1-2H3;1H