4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-methyl-phthalazin-1-one

Systemtic Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2-methyl-phthalazin-1-one Openeye Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-methyl-phthalazin-1-one CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-2-methyl-1-phthalazinone IUPAC Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-methylphthalazin-1-one Traditional Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2-methyl-phthalazin-1-one Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H21FN4O4S/c1-24-20(27)18-6-3-2-5-17(18)19(23-24)21(28)25-11-4-12-26(14-13-25)31(29,30)16-9-7-15(22)8-10-16/h2-3,5-10H,4,11-14H2,1H3