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

Systemtic Name: 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]pyridin-2-yl]-4-pyridin-3-yl-phthalazin-1-one Openeye Name: 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one CAS Name: 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]-2-pyridinyl]-4-(3-pyridinyl)-1-phthalazinone IUPAC Name: 2-[4-[(3S)-3-(hydroxymethyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl]pyridin-2-yl]-4-pyridin-3-ylphthalazin-1-one Traditional Name: 2-[4-[(3S)-6,7-dimethoxy-3-methylol-3,4-dihydroisoquinolin-1-yl]-2-pyridyl]-4-(3-pyridyl)phthalazin-1-one Formula: C30H25N5O4 MolecularWeight: 519.5506

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H25N5O4/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/h3-11,13-16,21,36H,12,17H2,1-2H3/t21-/m0/s1