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

Systemtic Name: butyl 6-[[5-bromanyl-2-(cyclopropylmethoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate Openeye Name: butyl 6-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylate CAS Name: 6-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid butyl ester IUPAC Name: butyl 6-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl-ethylamino]pyridazine-3-carboxylate Traditional Name: 6-[[5-bromo-2-(cyclopropylmethoxy)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)OCC3CC3

Isomeric SMILES

CCCCOC(=O)C1=NN=C(C=C1)N(CC)CC2=C(C=CC(=C2)Br)OCC3CC3

InChI

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