N5-hexyl-N3-[(2S,3R)-3-oxidanyl-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-1-(phenylmethyl)pyrazole-3,5-dicarboxamide

Systemtic Name: N5-hexyl-N3-[(2S,3R)-3-oxidanyl-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-1-(phenylmethyl)pyrazole-3,5-dicarboxamide Openeye Name: 1-benzyl-N3-[(1S,2R)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]-N5-hexyl-pyrazole-3,5-dicarboxamide CAS Name: N5-hexyl-N3-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-1-(phenylmethyl)pyrazole-3,5-dicarboxamide IUPAC Name: 1-benzyl-5-N-hexyl-3-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]pyrazole-3,5-dicarboxamide Traditional Name: 1-benzyl-N-[(1S,2R)-1-benzyl-2-hydroxy-3-[[3-(trifluoromethyl)benzyl]amino]propyl]-N'-hexyl-pyrazole-3,5-dicarboxamide Formula: C36H42F3N5O3 MolecularWeight: 649.74559

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=NN1CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(CNCC4=CC(=CC=C4)C(F)(F)F)O

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=NN1CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNCC4=CC(=CC=C4)C(F)(F)F)O

InChI

InChI=1S/C36H42F3N5O3/c1-2-3-4-11-19-41-35(47)32-22-31(43-44(32)25-27-15-9-6-10-16-27)34(46)42-30(21-26-13-7-5-8-14-26)33(45)24-40-23-28-17-12-18-29(20-28)36(37,38)39/h5-10,12-18,20,22,30,33,40,45H,2-4,11,19,21,23-25H2,1H3,(H,41,47)(H,42,46)/t30-,33+/m0/s1