(phenylmethyl) N-[[1-[4-[[2-(3-azanyl-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]-3-fluoranyl-phenyl]imidazol-2-yl]methyl]-N-methyl-carbamate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (phenylmethyl) N-[[1-[4-[[2-(3-azanyl-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]-3-fluoranyl-phenyl]imidazol-2-yl]methyl]-N-methyl-carbamate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: benzyl N-[[1-[4-[[2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-3-fluoro-phenyl]imidazol-2-yl]methyl]-N-methyl-carbamate; 2,2,2-trifluoroacetic acid CAS Name: N-[[1-[4-[[[2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]amino]-3-fluorophenyl]-2-imidazolyl]methyl]-N-methylcarbamic acid (phenylmethyl) ester; 2,2,2-trifluoroacetic acid IUPAC Name: benzyl N-[[1-[4-[[2-(3-amino-1,2-benzoxazol-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-3-fluorophenyl]imidazol-2-yl]methyl]-N-methylcarbamate; 2,2,2-trifluoroacetic acid Traditional Name: N-[[1-[4-[[2-(3-aminoindoxazen-5-yl)-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]-3-fluoro-phenyl]imidazol-2-yl]methyl]-N-methyl-carbamic acid benzyl ester; 2,2,2-trifluoroacetic acid Formula: C35H26F10N8O8 MolecularWeight: 876.613772

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC=CN1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC5=C(C=C4)ON=C5N)C(F)(F)F)F)C(=O)OCC6=CC=CC=C6.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Isomeric SMILES

CN(CC1=NC=CN1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC5=C(C=C4)ON=C5N)C(F)(F)F)F)C(=O)OCC6=CC=CC=C6.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C31H24F4N8O4.2C2HF3O2/c1-41(30(45)46-17-18-5-3-2-4-6-18)16-27-37-11-12-42(27)19-7-9-23(22(32)14-19)38-29(44)24-15-26(31(33,34)35)39-43(24)20-8-10-25-21(13-20)28(36)40-47-25;2*3-2(4,5)1(6)7/h2-15H,16-17H2,1H3,(H2,36,40)(H,38,44);2*(H,6,7)