2-methyl-1-[4-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylpiperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotoyl]piperazino]propan-1-one Formula: C21H27F3N4O4 MolecularWeight: 456.45869

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H27F3N4O4/c1-14(2)19(29)26-9-11-27(12-10-26)20(30)15-5-7-25(8-6-15)17-4-3-16(21(22,23)24)13-18(17)28(31)32/h3-4,13-15H,5-12H2,1-2H3