N5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-N5-hexyl-pyrazole-3,5-dicarboxamide CAS Name: N5-cyclopropyl-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-cyclopropyl-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'-cyclopropyl-N'-hexyl-pyrazole-3,5-dicarboxamide Formula: C39H46F3N5O3 MolecularWeight: 689.80945

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1CC1)C(=O)C2=CC(=NN2CC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)C(CNCC5=CC(=CC=C5)C(F)(F)F)O

Isomeric SMILES

CCCCCCN(C1CC1)C(=O)C2=CC(=NN2CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)[C@@H](CNCC5=CC(=CC=C5)C(F)(F)F)O

InChI

InChI=1S/C39H46F3N5O3/c1-2-3-4-11-21-46(32-19-20-32)38(50)35-24-34(45-47(35)27-29-15-9-6-10-16-29)37(49)44-33(23-28-13-7-5-8-14-28)36(48)26-43-25-30-17-12-18-31(22-30)39(40,41)42/h5-10,12-18,22,24,32-33,36,43,48H,2-4,11,19-21,23,25-27H2,1H3,(H,44,49)/t33-,36+/m0/s1