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

Systemtic Name: 4-[[4-fluoranyl-3-(4-phenylpiperazin-1-yl)carbonyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-fluoro-3-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-fluoro-3-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-fluoro-3-(4-phenylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[4-fluoro-3-(4-phenylpiperazine-1-carbonyl)benzyl]-2H-phthalazin-1-one Formula: C26H23FN4O2 MolecularWeight: 442.484823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

InChI

InChI=1S/C26H23FN4O2/c27-23-11-10-18(17-24-20-8-4-5-9-21(20)25(32)29-28-24)16-22(23)26(33)31-14-12-30(13-15-31)19-6-2-1-3-7-19/h1-11,16H,12-15,17H2,(H,29,32)