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

Systemtic Name: butyl 6-[[5-bromanyl-2-(2-chloranylprop-2-enoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate Openeye Name: butyl 6-[[5-bromo-2-(2-chloroallyloxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate CAS Name: 6-[[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid butyl ester IUPAC Name: butyl 6-[[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methyl-ethylamino]pyridazine-3-carboxylate Traditional Name: 6-[[5-bromo-2-(2-chloroallyloxy)benzyl]-ethyl-amino]pyridazine-3-carboxylic acid butyl ester Formula: C21H25BrClN3O3 MolecularWeight: 482.7985

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrClN3O3/c1-4-6-11-28-21(27)18-8-10-20(25-24-18)26(5-2)13-16-12-17(22)7-9-19(16)29-14-15(3)23/h7-10,12H,3-6,11,13-14H2,1-2H3