N-[(2S)-1-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[3-(trifluoromethyl)phenyl]amino]benzamide

Systemtic Name: N-[(2S)-1-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[3-(trifluoromethyl)phenyl]amino]benzamide Openeye Name: N-[(1S)-2-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-1-methyl-2-oxo-ethyl]-2-[3-(trifluoromethyl)anilino]benzamide CAS Name: N-[(2S)-1-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide IUPAC Name: N-[(2S)-1-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-1-oxopropan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide Traditional Name: N-[(1S)-2-[[(1S,5S)-8-(4-chlorobenzyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-keto-1-methyl-ethyl]-2-[3-(trifluoromethyl)anilino]benzamide Formula: C31H32ClF3N4O2 MolecularWeight: 585.05959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC2CCC(C1)N2CC3=CC=C(C=C3)Cl)NC(=O)C4=CC=CC=C4NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C[C@@H](C(=O)NC1C[C@@H]2CC[C@@H](C1)N2CC3=CC=C(C=C3)Cl)NC(=O)C4=CC=CC=C4NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C31H32ClF3N4O2/c1-19(29(40)38-24-16-25-13-14-26(17-24)39(25)18-20-9-11-22(32)12-10-20)36-30(41)27-7-2-3-8-28(27)37-23-6-4-5-21(15-23)31(33,34)35/h2-12,15,19,24-26,37H,13-14,16-18H2,1H3,(H,36,41)(H,38,40)/t19-,25-,26-/m0/s1