4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-3-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: 4-(4-acetylpiperazino)-3-nitro-N-[3-(trifluoromethyl)benzyl]benzamide Formula: C21H21F3N4O4 MolecularWeight: 450.41105

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H21F3N4O4/c1-14(29)26-7-9-27(10-8-26)18-6-5-16(12-19(18)28(31)32)20(30)25-13-15-3-2-4-17(11-15)21(22,23)24/h2-6,11-12H,7-10,13H2,1H3,(H,25,30)