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

Systemtic Name: butyl 6-[[5-bromanyl-2-[(E)-but-2-enoxy]phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate Openeye Name: butyl 6-[[5-bromo-2-[(E)-but-2-enoxy]phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate CAS Name: 6-[[5-bromo-2-[(E)-but-2-enoxy]phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid butyl ester IUPAC Name: butyl 6-[[5-bromo-2-[(E)-but-2-enoxy]phenyl]methyl-ethylamino]pyridazine-3-carboxylate Traditional Name: 6-[[5-bromo-2-[(E)-but-2-enoxy]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=CC

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrN3O3/c1-4-7-13-28-20-11-9-18(23)15-17(20)16-26(6-3)21-12-10-19(24-25-21)22(27)29-14-8-5-2/h4,7,9-12,15H,5-6,8,13-14,16H2,1-3H3/b7-4+