butyl 6-[[5-bromanyl-2-[3,3,3-tris(fluoranyl)-2-oxidanyl-propoxy]phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate

Systemtic Name: butyl 6-[[5-bromanyl-2-[3,3,3-tris(fluoranyl)-2-oxidanyl-propoxy]phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate Openeye Name: butyl 6-[[5-bromo-2-(3,3,3-trifluoro-2-hydroxy-propoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate CAS Name: 6-[[5-bromo-2-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid butyl ester IUPAC Name: butyl 6-[[5-bromo-2-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]methyl-ethylamino]pyridazine-3-carboxylate Traditional Name: 6-[[5-bromo-2-(3,3,3-trifluoro-2-hydroxy-propoxy)benzyl]-ethyl-amino]pyridazine-3-carboxylic acid butyl ester Formula: C21H25BrF3N3O4 MolecularWeight: 520.34011

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=NN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)OCC(C(F)(F)F)O

Isomeric SMILES

CCCCOC(=O)C1=NN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)OCC(C(F)(F)F)O

InChI

InChI=1S/C21H25BrF3N3O4/c1-3-5-10-31-20(30)16-7-9-19(27-26-16)28(4-2)12-14-11-15(22)6-8-17(14)32-13-18(29)21(23,24)25/h6-9,11,18,29H,3-5,10,12-13H2,1-2H3