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

Systemtic Name: 1-[(2S)-4-(2-fluoranyl-5-methyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]butan-1-one Openeye Name: 1-[(2S)-4-(2-fluoro-5-methyl-4-nitro-phenyl)-2-methyl-piperazin-1-yl]butan-1-one CAS Name: 1-[(2S)-4-(2-fluoro-5-methyl-4-nitrophenyl)-2-methyl-1-piperazinyl]-1-butanone IUPAC Name: 1-[(2S)-4-(2-fluoro-5-methyl-4-nitrophenyl)-2-methylpiperazin-1-yl]butan-1-one Traditional Name: 1-[(2S)-4-(2-fluoro-5-methyl-4-nitro-phenyl)-2-methyl-piperazino]butan-1-one Formula: C16H22FN3O3 MolecularWeight: 323.362583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22FN3O3/c1-4-5-16(21)19-7-6-18(10-12(19)3)15-8-11(2)14(20(22)23)9-13(15)17/h8-9,12H,4-7,10H2,1-3H3/t12-/m0/s1