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

Systemtic Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(4-fluorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]-2H-phthalazin-1-one Formula: C20H19FN4O4S MolecularWeight: 430.452663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H19FN4O4S/c21-14-6-8-15(9-7-14)30(28,29)25-11-3-10-24(12-13-25)20(27)18-16-4-1-2-5-17(16)19(26)23-22-18/h1-2,4-9H,3,10-13H2,(H,23,26)