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

Systemtic Name: 4-[[4-fluoranyl-3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[4-fluoro-3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[4-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)-oxomethyl]phenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[4-fluoro-3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[4-fluoro-3-(4-methyl-1,4-diazepane-1-carbonyl)benzyl]-2H-phthalazin-1-one Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

InChI

InChI=1S/C22H23FN4O2/c1-26-9-4-10-27(12-11-26)22(29)18-13-15(7-8-19(18)23)14-20-16-5-2-3-6-17(16)21(28)25-24-20/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,25,28)