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

Systemtic Name: 4-[[3-(1,4-diazepan-1-ylcarbonyl)-4-fluoranyl-phenyl]methyl]-2H-phthalazin-1-one Openeye Name: 4-[[3-(1,4-diazepane-1-carbonyl)-4-fluoro-phenyl]methyl]-2H-phthalazin-1-one CAS Name: 4-[[3-[1,4-diazepan-1-yl(oxo)methyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[[3-(1,4-diazepane-1-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one Traditional Name: 4-[3-(1,4-diazepane-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

InChI

InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)