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N-(3-ethanoylphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
N-(3-ethanoylphenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
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Descriptors Computed from Structure
Canonical SMILES:
CC(C(=O)NC1=CC=CC(=C1)C(=O)C)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
Isomeric SMILES
CC(C(=O)NC1=CC=CC(=C1)C(=O)C)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C22H23F3N4O4/c1-14(21(31)26-18-5-3-4-16(12-18)15(2)30)27-8-10-28(11-9-27)19-7-6-17(22(23,24)25)13-20(19)29(32)33/h3-7,12-14H,8-11H2,1-2H3,(H,26,31)
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