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

Systemtic Name: 4-[[4-fluoranyl-3-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-fluoro-3-[4-(2-pyridyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-fluoro-3-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-fluoro-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[4-fluoro-3-[4-(2-pyridyl)piperazine-1-carbonyl]benzyl]-2H-phthalazin-1-one Formula: C25H22FN5O2 MolecularWeight: 443.472883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

InChI

InChI=1S/C25H22FN5O2/c26-21-9-8-17(16-22-18-5-1-2-6-19(18)24(32)29-28-22)15-20(21)25(33)31-13-11-30(12-14-31)23-7-3-4-10-27-23/h1-10,15H,11-14,16H2,(H,29,32)