butyl 6-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate

Systemtic Name: butyl 6-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate Openeye Name: butyl 6-[[5-bromo-2-(2-methylallyloxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate CAS Name: 6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid butyl ester IUPAC Name: butyl 6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]pyridazine-3-carboxylate Traditional Name: 6-[[5-bromo-2-(2-methylallyloxy)benzyl]-ethyl-amino]pyridazine-3-carboxylic acid butyl ester Formula: C22H28BrN3O3 MolecularWeight: 462.38002

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O3/c1-5-7-12-28-22(27)19-9-11-21(25-24-19)26(6-2)14-17-13-18(23)8-10-20(17)29-15-16(3)4/h8-11,13H,3,5-7,12,14-15H2,1-2,4H3