tert-butyl 4-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-[2-nitro-4-(trifluoromethyl)phenyl]isonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H29F3N4O5 MolecularWeight: 486.48467

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H29F3N4O5/c1-21(2,3)34-20(31)28-12-10-27(11-13-28)19(30)15-6-8-26(9-7-15)17-5-4-16(22(23,24)25)14-18(17)29(32)33/h4-5,14-15H,6-13H2,1-3H3