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

Systemtic Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-isoquinolin-1-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one chloride Openeye Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-1-isoquinolyl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one chloride CAS Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxy-1-isoquinolinyl]-2-pyridinyl]-4-(3-pyridinyl)-1-phthalazinone chloride IUPAC Name: 2-[4-[3-(hydroxymethyl)-6,7-dimethoxyisoquinolin-1-yl]pyridin-2-yl]-4-pyridin-3-ylphthalazin-1-one chloride Traditional Name: 2-[4-(6,7-dimethoxy-3-methylol-1-isoquinolyl)-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one chloride Formula: C30H23ClN5O4- MolecularWeight: 552.98772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(N=C2C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)CO)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(N=C2C3=CC(=NC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CN=CC=C6)CO)OC.[Cl-]

InChI

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