(4-morpholin-4-yl-3-nitro-phenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

Systemtic Name: (4-morpholin-4-yl-3-nitro-phenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone Openeye Name: (4-morpholino-3-nitro-phenyl)-[(3S)-3-(trifluoromethyl)-1-piperidyl]methanone CAS Name: [4-(4-morpholinyl)-3-nitrophenyl]-[(3S)-3-(trifluoromethyl)-1-piperidinyl]methanone IUPAC Name: (4-morpholin-4-yl-3-nitrophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone Traditional Name: (4-morpholino-3-nitro-phenyl)-[(3S)-3-(trifluoromethyl)piperidino]methanone Formula: C17H20F3N3O4 MolecularWeight: 387.35361

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H20F3N3O4/c18-17(19,20)13-2-1-5-22(11-13)16(24)12-3-4-14(15(10-12)23(25)26)21-6-8-27-9-7-21/h3-4,10,13H,1-2,5-9,11H2/t13-/m0/s1