2-[4-(2-methoxy-5-nitro-phenyl)carbonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(2-methoxy-5-nitro-phenyl)carbonylpiperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(2-methoxy-5-nitro-benzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[(2-methoxy-5-nitrophenyl)-oxomethyl]-1-piperazinyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(2-methoxy-5-nitrobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(2-methoxy-5-nitro-benzoyl)piperazino]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C21H21F3N4O5 MolecularWeight: 466.41045

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H21F3N4O5/c1-33-18-7-6-14(28(31)32)12-15(18)20(30)27-10-8-26(9-11-27)13-19(29)25-17-5-3-2-4-16(17)21(22,23)24/h2-7,12H,8-11,13H2,1H3,(H,25,29)