4-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxidanylidenepropyl)-6-phenyl-piperidin-3-yl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxidanylidenepropyl)-6-phenyl-piperidin-3-yl]-1H-1,2,4-triazol-5-one Openeye Name: 4-[(3R,6S)-3-acetonyl-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-3-piperidyl]-1H-1,2,4-triazol-5-one CAS Name: 4-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxopropyl)-6-phenyl-3-piperidinyl]-1H-1,2,4-triazol-5-one IUPAC Name: 4-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-(2-oxopropyl)-6-phenylpiperidin-3-yl]-1H-1,2,4-triazol-5-one Traditional Name: 4-[(3R,6S)-3-acetonyl-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-3-piperidyl]-1H-1,2,4-triazol-5-one Formula: C27H28F6N4O3 MolecularWeight: 570.526639

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CCC(CN2)(CC(=O)C)N3C=NNC3=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@](CN2)(CC(=O)C)N3C=NNC3=O)C4=CC=CC=C4

InChI

InChI=1S/C27H28F6N4O3/c1-17(38)13-24(37-16-35-36-23(37)39)8-9-25(34-14-24,20-6-4-3-5-7-20)15-40-18(2)19-10-21(26(28,29)30)12-22(11-19)27(31,32)33/h3-7,10-12,16,18,34H,8-9,13-15H2,1-2H3,(H,36,39)/t18-,24-,25-/m1/s1