5-azanyl-N-[2-[[(2-bromanyl-3-fluoranyl-phenyl)carbonyl-(2-hydroxyethyl)amino]methyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide

Systemtic Name: 5-azanyl-N-[2-[[(2-bromanyl-3-fluoranyl-phenyl)carbonyl-(2-hydroxyethyl)amino]methyl]-3,3,3-tris(fluoranyl)-2-oxidanyl-propyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide Openeye Name: 5-amino-N-[2-[[(2-bromo-3-fluoro-benzoyl)-(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-2-hydroxy-propyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide CAS Name: 5-amino-N-[2-[[[(2-bromo-3-fluorophenyl)-oxomethyl]-(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)-4-pyrazolecarboxamide IUPAC Name: 5-amino-N-[2-[[(2-bromo-3-fluorobenzoyl)-(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide Traditional Name: 5-amino-N-[2-[[(2-bromo-3-fluoro-benzoyl)-(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-2-hydroxy-propyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide Formula: C23H21BrF5N5O4 MolecularWeight: 606.339956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)Br)C(=O)N(CCO)CC(CNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)(C(F)(F)F)O

Isomeric SMILES

C1=CC(=C(C(=C1)F)Br)C(=O)N(CCO)CC(CNC(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)(C(F)(F)F)O

InChI

InChI=1S/C23H21BrF5N5O4/c24-18-15(2-1-3-17(18)26)21(37)33(8-9-35)12-22(38,23(27,28)29)11-31-20(36)16-10-32-34(19(16)30)14-6-4-13(25)5-7-14/h1-7,10,35,38H,8-9,11-12,30H2,(H,31,36)