(2S,5S)-5-[[bis(phenylmethyl)amino]methyl]-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-1,6-diazabicyclo[3.3.1]nonan-7-one

Systemtic Name: (2S,5S)-5-[[bis(phenylmethyl)amino]methyl]-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-1,6-diazabicyclo[3.3.1]nonan-7-one Openeye Name: (2S,5S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-[(dibenzylamino)methyl]-2-phenyl-1,6-diazabicyclo[3.3.1]nonan-7-one CAS Name: (2S,5S)-5-[[bis(phenylmethyl)amino]methyl]-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-1,6-diazabicyclo[3.3.1]nonan-7-one IUPAC Name: (2S,5S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-[(dibenzylamino)methyl]-2-phenyl-1,6-diazabicyclo[3.3.1]nonan-7-one Traditional Name: (2S,5S)-2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-5-[(dibenzylamino)methyl]-2-phenyl-1,6-diazabicyclo[3.3.1]nonan-7-one Formula: C39H39F6N3O2 MolecularWeight: 695.736279

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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)CN(CC4=CC=CC=C4)CC5=CC=CC=C5)C6=CC=CC=C6

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)CN(CC4=CC=CC=C4)CC5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H39F6N3O2/c1-28(31-19-33(38(40,41)42)21-34(20-31)39(43,44)45)50-27-37(32-15-9-4-10-16-32)18-17-36(26-48(37)24-35(49)46-36)25-47(22-29-11-5-2-6-12-29)23-30-13-7-3-8-14-30/h2-16,19-21,28H,17-18,22-27H2,1H3,(H,46,49)/t28-,36+,37-/m1/s1