1-[4-[4-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-[2-(dimethylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-[2-(dimethylamino)-5-nitro-benzoyl]piperazin-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-[2-(dimethylamino)-5-nitrobenzoyl]piperazin-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-[2-(dimethylamino)-5-nitro-benzoyl]piperazino]-3-fluoro-phenyl]ethanone Formula: C21H23FN4O4 MolecularWeight: 414.430123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C)F

InChI

InChI=1S/C21H23FN4O4/c1-14(27)15-4-6-20(18(22)12-15)24-8-10-25(11-9-24)21(28)17-13-16(26(29)30)5-7-19(17)23(2)3/h4-7,12-13H,8-11H2,1-3H3