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

Systemtic Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-isoquinolin-4-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one Openeye Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-4-isoquinolyl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one CAS Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-4-isoquinolinyl]-2-pyridinyl]-4-(3-pyridinyl)-1-phthalazinone IUPAC Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxyisoquinolin-4-yl]pyridin-2-yl]-4-pyridin-3-ylphthalazin-1-one Traditional Name: 2-[4-(6,7-dimethoxy-3-methylol-4-isoquinolyl)-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one Formula: C30H23N5O4 MolecularWeight: 517.53472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=NC(=C2C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)CO)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=NC(=C2C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)CO)OC

InChI

InChI=1S/C30H23N5O4/c1-38-25-12-20-16-33-24(17-36)28(23(20)14-26(25)39-2)18-9-11-32-27(13-18)35-30(37)22-8-4-3-7-21(22)29(34-35)19-6-5-10-31-15-19/h3-16,36H,17H2,1-2H3