3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C21H21FN4O5S MolecularWeight: 460.478643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)CN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H21FN4O5S/c22-15-6-8-16(9-7-15)32(30,31)25-11-3-10-24(12-13-25)19(27)14-26-21(29)18-5-2-1-4-17(18)20(28)23-26/h1-2,4-9H,3,10-14H2,(H,23,28)