tert-butyl 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpiperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonylpiperidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylate CAS Name: 3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylate Traditional Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29F3N4O5 MolecularWeight: 486.48467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N2CCN(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)28-8-4-5-15(14-28)19(30)27-11-9-26(10-12-27)17-7-6-16(22(23,24)25)13-18(17)29(32)33/h6-7,13,15H,4-5,8-12,14H2,1-3H3