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

Systemtic Name: 4-[[2-(4-ethanoylpiperazin-1-yl)carbonylpyridin-4-yl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[2-(4-acetylpiperazine-1-carbonyl)-4-pyridyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[2-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-pyridinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[2-(4-acetylpiperazine-1-carbonyl)pyridin-4-yl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[[2-(4-acetylpiperazine-1-carbonyl)-4-pyridyl]methyl]-2H-phthalazin-1-one Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=NC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=NC=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H21N5O3/c1-14(27)25-8-10-26(11-9-25)21(29)19-13-15(6-7-22-19)12-18-16-4-2-3-5-17(16)20(28)24-23-18/h2-7,13H,8-12H2,1H3,(H,24,28)