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

Systemtic Name: 4-[[4-fluoranyl-3-(4-phenoxypiperidin-1-yl)carbonyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-fluoro-3-(4-phenoxypiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-fluoro-3-[oxo-(4-phenoxy-1-piperidinyl)methyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-fluoro-3-(4-phenoxypiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[4-fluoro-3-(4-phenoxypiperidine-1-carbonyl)benzyl]-2H-phthalazin-1-one Formula: C27H24FN3O3 MolecularWeight: 457.496163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

Isomeric SMILES

C1CN(CCC1OC2=CC=CC=C2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

InChI

InChI=1S/C27H24FN3O3/c28-24-11-10-18(17-25-21-8-4-5-9-22(21)26(32)30-29-25)16-23(24)27(33)31-14-12-20(13-15-31)34-19-6-2-1-3-7-19/h1-11,16,20H,12-15,17H2,(H,30,32)