2-[4-[6,7-diethoxy-3-(hydroxymethyl)naphthalen-1-yl]pyridin-2-yl]-4-methyl-phthalazin-1-one

Systemtic Name: 2-[4-[6,7-diethoxy-3-(hydroxymethyl)naphthalen-1-yl]pyridin-2-yl]-4-methyl-phthalazin-1-one Openeye Name: 2-[4-[6,7-diethoxy-3-(hydroxymethyl)-1-naphthyl]-2-pyridyl]-4-methyl-phthalazin-1-one CAS Name: 2-[4-[6,7-diethoxy-3-(hydroxymethyl)-1-naphthalenyl]-2-pyridinyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[4-[6,7-diethoxy-3-(hydroxymethyl)naphthalen-1-yl]pyridin-2-yl]-4-methylphthalazin-1-one Traditional Name: 2-[4-(6,7-diethoxy-3-methylol-1-naphthyl)-2-pyridyl]-4-methyl-phthalazin-1-one Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=CC(=CC(=C2C=C1OCC)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C)CO

Isomeric SMILES

CCOC1=CC2=CC(=CC(=C2C=C1OCC)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C)CO

InChI

InChI=1S/C29H27N3O4/c1-4-35-26-14-21-12-19(17-33)13-24(25(21)16-27(26)36-5-2)20-10-11-30-28(15-20)32-29(34)23-9-7-6-8-22(23)18(3)31-32/h6-16,33H,4-5,17H2,1-3H3