1-[3-[bis(4-fluorophenyl)methyl]-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-oxidanylidene-1,2,4-triazolidin-1-yl]piperidin-2-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-[3-[bis(4-fluorophenyl)methyl]-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-oxidanylidene-1,2,4-triazolidin-1-yl]piperidin-2-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[3-[bis(4-fluorophenyl)methyl]-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-oxo-1,2,4-triazolidin-1-yl]piperidin-2-one; 2,2,2-trifluoroacetic acid CAS Name: 1-[3-[bis(4-fluorophenyl)methyl]-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-oxo-1,2,4-triazolidin-1-yl]-2-piperidinone; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[3-[bis(4-fluorophenyl)methyl]-4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methyl-5-oxo-1,2,4-triazolidin-1-yl]piperidin-2-one; 2,2,2-trifluoroacetic acid Traditional Name: 1-[3-[bis(4-fluorophenyl)methyl]-4-[3,5-bis(trifluoromethyl)benzyl]-5-keto-2-methyl-1,2,4-triazolidin-1-yl]-2-piperidone; 2,2,2-trifluoroacetic acid Formula: C32H27F11N4O4 MolecularWeight: 740.563615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(C(=O)N1N2CCCCC2=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN1C(N(C(=O)N1N2CCCCC2=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C30H26F8N4O2.C2HF3O2/c1-39-27(26(19-5-9-23(31)10-6-19)20-7-11-24(32)12-8-20)40(28(44)42(39)41-13-3-2-4-25(41)43)17-18-14-21(29(33,34)35)16-22(15-18)30(36,37)38;3-2(4,5)1(6)7/h5-12,14-16,26-27H,2-4,13,17H2,1H3;(H,6,7)