4-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one

Systemtic Name: 4-[[3-(4-ethanoylpiperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(4-acetylpiperazine-1-carbonyl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(4-acetylpiperazine-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(4-acetylpiperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one Formula: C22H21FN4O3 MolecularWeight: 408.425543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21FN4O3/c1-14(28)26-8-10-27(11-9-26)22(30)18-12-15(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(29)25-24-20/h2-7,12H,8-11,13H2,1H3,(H,25,29)