4-[[2-(4-methylpiperazin-1-yl)carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[2-(4-methylpiperazin-1-yl)carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[2-[(4-methyl-1-piperazinyl)-oxomethyl]-4-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[2-(4-methylpiperazine-1-carbonyl)pyridin-4-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[2-(4-methylpiperazine-1-carbonyl)-4-pyridyl]methyl]-2H-phthalazin-1-one Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=NC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=NC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H21N5O2/c1-24-8-10-25(11-9-24)20(27)18-13-14(6-7-21-18)12-17-15-4-2-3-5-16(15)19(26)23-22-17/h2-7,13H,8-12H2,1H3,(H,23,26)