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

Systemtic Name: 4-[[4-fluoranyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]carbonyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-fluoro-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-fluoro-3-[[4-(2-hydroxyethyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-fluoro-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[4-fluoro-3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzyl]-2H-phthalazin-1-one Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

Isomeric SMILES

C1CN(CCN1CCO)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

InChI

InChI=1S/C22H23FN4O3/c23-19-6-5-15(14-20-16-3-1-2-4-17(16)21(29)25-24-20)13-18(19)22(30)27-9-7-26(8-10-27)11-12-28/h1-6,13,28H,7-12,14H2,(H,25,29)