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

Systemtic Name: 1-[(2S)-4-(4-fluoranyl-5-morpholin-4-yl-2-nitro-phenyl)-2-methyl-piperazin-1-yl]ethanone Openeye Name: 1-[(2S)-4-(4-fluoro-5-morpholino-2-nitro-phenyl)-2-methyl-piperazin-1-yl]ethanone CAS Name: 1-[(2S)-4-[4-fluoro-5-(4-morpholinyl)-2-nitrophenyl]-2-methyl-1-piperazinyl]ethanone IUPAC Name: 1-[(2S)-4-(4-fluoro-5-morpholin-4-yl-2-nitrophenyl)-2-methylpiperazin-1-yl]ethanone Traditional Name: 1-[(2S)-4-(4-fluoro-5-morpholino-2-nitro-phenyl)-2-methyl-piperazino]ethanone Formula: C17H23FN4O4 MolecularWeight: 366.387323

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCOCC3

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)C)C2=CC(=C(C=C2[N+](=O)[O-])F)N3CCOCC3

InChI

InChI=1S/C17H23FN4O4/c1-12-11-20(3-4-21(12)13(2)23)16-10-15(19-5-7-26-8-6-19)14(18)9-17(16)22(24)25/h9-10,12H,3-8,11H2,1-2H3/t12-/m0/s1