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

Systemtic Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]phthalazin-1-one Openeye Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2-pyridyl]phthalazin-1-one CAS Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthalenyl]-2-pyridinyl]-1-phthalazinone IUPAC Name: 2-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]pyridin-2-yl]phthalazin-1-one Traditional Name: 2-[4-(6,7-dimethoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]phthalazin-1-one Formula: C27H23N3O5 MolecularWeight: 469.48862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C=N4)CO)CO

Isomeric SMILES

COC1=CC2=CC(=C(C(=C2C=C1OC)C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C=N4)CO)CO

InChI

InChI=1S/C27H23N3O5/c1-34-23-10-18-9-19(14-31)22(15-32)26(21(18)12-24(23)35-2)16-7-8-28-25(11-16)30-27(33)20-6-4-3-5-17(20)13-29-30/h3-13,31-32H,14-15H2,1-2H3