1-[[(2S,5S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-7-oxidanylidene-2-phenyl-1,6-diazabicyclo[3.3.1]nonan-5-yl]methyl]urea

Systemtic Name: 1-[[(2S,5S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-7-oxidanylidene-2-phenyl-1,6-diazabicyclo[3.3.1]nonan-5-yl]methyl]urea Openeye Name: [(2S,5S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-7-oxo-2-phenyl-1,6-diazabicyclo[3.3.1]nonan-5-yl]methylurea CAS Name: [(2S,5S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-7-oxo-2-phenyl-1,6-diazabicyclo[3.3.1]nonan-5-yl]methylurea IUPAC Name: [(2S,5S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-7-oxo-2-phenyl-1,6-diazabicyclo[3.3.1]nonan-5-yl]methylurea Traditional Name: [(2S,5S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-7-keto-2-phenyl-1,6-diazabicyclo[3.3.1]nonan-5-yl]methylurea Formula: C26H28F6N4O3 MolecularWeight: 558.515939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OCC2(CCC3(CN2CC(=O)N3)CNC(=O)N)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@@]3(CN2CC(=O)N3)CNC(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C26H28F6N4O3/c1-16(17-9-19(25(27,28)29)11-20(10-17)26(30,31)32)39-15-24(18-5-3-2-4-6-18)8-7-23(13-34-22(33)38)14-36(24)12-21(37)35-23/h2-6,9-11,16H,7-8,12-15H2,1H3,(H,35,37)(H3,33,34,38)/t16-,23+,24-/m1/s1