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

Systemtic Name: butyl 6-[(5-bromanyl-2-oxidanyl-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylate Openeye Name: butyl 6-[(5-bromo-2-hydroxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylate CAS Name: 6-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]-3-pyridazinecarboxylic acid butyl ester IUPAC Name: butyl 6-[(5-bromo-2-hydroxyphenyl)methyl-ethylamino]pyridazine-3-carboxylate Traditional Name: 6-[(5-bromo-2-hydroxy-benzyl)-ethyl-amino]pyridazine-3-carboxylic acid butyl ester Formula: C18H22BrN3O3 MolecularWeight: 408.28958

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O3/c1-3-5-10-25-18(24)15-7-9-17(21-20-15)22(4-2)12-13-11-14(19)6-8-16(13)23/h6-9,11,23H,3-5,10,12H2,1-2H3