butyl 2-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate

Systemtic Name: butyl 2-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate Openeye Name: butyl 2-[[5-bromo-2-(2-methylallyloxy)phenyl]methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate CAS Name: 2-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate Traditional Name: 2-[5-bromo-2-(2-methylallyloxy)benzyl]-5-(ethylamino)-1H-pyridazine-6-carboxylic acid butyl ester Formula: C22H30BrN3O3 MolecularWeight: 464.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C=CN(N1)CC2=C(C=CC(=C2)Br)OCC(=C)C)NCC

Isomeric SMILES

CCCCOC(=O)C1=C(C=CN(N1)CC2=C(C=CC(=C2)Br)OCC(=C)C)NCC

InChI

InChI=1S/C22H30BrN3O3/c1-5-7-12-28-22(27)21-19(24-6-2)10-11-26(25-21)14-17-13-18(23)8-9-20(17)29-15-16(3)4/h8-11,13,24-25H,3,5-7,12,14-15H2,1-2,4H3