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

Systemtic Name: 4-[[4-fluoranyl-3-(4-oxidanylpiperidin-1-yl)carbonyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-fluoro-3-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-fluoro-3-[(4-hydroxy-1-piperidinyl)-oxomethyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-fluoro-3-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[4-fluoro-3-(4-hydroxypiperidine-1-carbonyl)benzyl]-2H-phthalazin-1-one Formula: C21H20FN3O3 MolecularWeight: 381.400203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1O)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

Isomeric SMILES

C1CN(CCC1O)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

InChI

InChI=1S/C21H20FN3O3/c22-18-6-5-13(11-17(18)21(28)25-9-7-14(26)8-10-25)12-19-15-3-1-2-4-16(15)20(27)24-23-19/h1-6,11,14,26H,7-10,12H2,(H,24,27)