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

Systemtic Name: butyl 2-[[5-bromanyl-2-[(E)-but-2-enoxy]phenyl]methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate Openeye Name: butyl 2-[[5-bromo-2-[(E)-but-2-enoxy]phenyl]methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate CAS Name: 2-[[5-bromo-2-[(E)-but-2-enoxy]phenyl]methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[5-bromo-2-[(E)-but-2-enoxy]phenyl]methyl]-5-(ethylamino)-1H-pyridazine-6-carboxylate Traditional Name: 2-[5-bromo-2-[(E)-but-2-enoxy]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=CC)NCC

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrN3O3/c1-4-7-13-28-20-10-9-18(23)15-17(20)16-26-12-11-19(24-6-3)21(25-26)22(27)29-14-8-5-2/h4,7,9-12,15,24-25H,5-6,8,13-14,16H2,1-3H3/b7-4+