4-[(5-bromanyl-2-butoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid

Systemtic Name: 4-[(5-bromanyl-2-butoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 4-[(5-bromo-2-butoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 4-[(5-bromo-2-butoxyphenyl)methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 4-[(5-bromo-2-butoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 4-[(5-bromo-2-butoxy-benzyl)-ethyl-amino]pyridazine-3-carboxylic acid Formula: C18H22BrN3O3 MolecularWeight: 408.28958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)CN(CC)C2=C(N=NC=C2)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)CN(CC)C2=C(N=NC=C2)C(=O)O

InChI

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