3-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-naphthalen-1-yl]pyridin-2-yl]-2H-phthalazine-1,4-dione Openeye Name: 3-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthyl]-2-pyridyl]-2H-phthalazine-1,4-dione CAS Name: 3-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-naphthalenyl]-2-pyridinyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[4-[2,3-bis(hydroxymethyl)-6,7-dimethoxynaphthalen-1-yl]pyridin-2-yl]-2H-phthalazine-1,4-dione Traditional Name: 3-[4-(6,7-dimethoxy-2,3-dimethylol-1-naphthyl)-2-pyridyl]-2H-phthalazine-1,4-quinone Formula: C27H23N3O6 MolecularWeight: 485.48802

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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(=O)N4)CO)CO

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O6/c1-35-22-10-16-9-17(13-31)21(14-32)25(20(16)12-23(22)36-2)15-7-8-28-24(11-15)30-27(34)19-6-4-3-5-18(19)26(33)29-30/h3-12,31-32H,13-14H2,1-2H3,(H,29,33)