4-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[2-[4-(3-methoxyphenyl)piperazin-1-yl]carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[2-[[4-(3-methoxyphenyl)-1-piperazinyl]-oxomethyl]-4-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyridin-4-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-4-pyridyl]methyl]-2H-phthalazin-1-one Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=NC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=NC=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C26H25N5O3/c1-34-20-6-4-5-19(17-20)30-11-13-31(14-12-30)26(33)24-16-18(9-10-27-24)15-23-21-7-2-3-8-22(21)25(32)29-28-23/h2-10,16-17H,11-15H2,1H3,(H,29,32)