1-[(2S)-4-(2-fluoranyl-5-methyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]propan-1-one

Systemtic Name: 1-[(2S)-4-(2-fluoranyl-5-methyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]propan-1-one Openeye Name: 1-[(2S)-4-(2-fluoro-5-methyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]propan-1-one CAS Name: 1-[(2S)-4-(2-fluoro-5-methyl-4-nitrophenyl)-2-methyl-1-piperazinyl]-1-propanone IUPAC Name: 1-[(2S)-4-(2-fluoro-5-methyl-4-nitrophenyl)-2-methylpiperazin-1-yl]propan-1-one Traditional Name: 1-[(2S)-4-(2-fluoro-5-methyl-4-nitro-phenyl)-2-methyl-piperazino]propan-1-one Formula: C15H20FN3O3 MolecularWeight: 309.336003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C2=C(C=C(C(=C2)C)[N+](=O)[O-])F

Isomeric SMILES

CCC(=O)N1CCN(C[C@@H]1C)C2=C(C=C(C(=C2)C)[N+](=O)[O-])F

InChI

InChI=1S/C15H20FN3O3/c1-4-15(20)18-6-5-17(9-11(18)3)14-7-10(2)13(19(21)22)8-12(14)16/h7-8,11H,4-6,9H2,1-3H3/t11-/m0/s1