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

Systemtic Name: 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H21FN4O4S/c22-15-6-8-16(9-7-15)31(29,30)26-11-3-10-25(12-13-26)20(27)14-19-17-4-1-2-5-18(17)21(28)24-23-19/h1-2,4-9H,3,10-14H2,(H,24,28)