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

Systemtic Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-isoquinolin-1-yl]pyridin-2-yl]-4-methyl-phthalazin-1-one Openeye Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-1-isoquinolyl]-2-pyridyl]-4-methyl-phthalazin-1-one CAS Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-1-isoquinolinyl]-2-pyridinyl]-4-methyl-1-phthalazinone IUPAC Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxyisoquinolin-1-yl]pyridin-2-yl]-4-methylphthalazin-1-one Traditional Name: 2-[4-(6,7-dimethoxy-3-methylol-1-isoquinolyl)-2-pyridyl]-4-methyl-phthalazin-1-one Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=NC=CC(=C3)C4=NC(=CC5=CC(=C(C=C54)OC)OC)CO

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=NC=CC(=C3)C4=NC(=CC5=CC(=C(C=C54)OC)OC)CO

InChI

InChI=1S/C26H22N4O4/c1-15-19-6-4-5-7-20(19)26(32)30(29-15)24-12-16(8-9-27-24)25-21-13-23(34-3)22(33-2)11-17(21)10-18(14-31)28-25/h4-13,31H,14H2,1-3H3