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

Systemtic Name: 4-[(5-bromanyl-2-cyclobutyloxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 4-[[5-bromo-2-(cyclobutoxy)phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 4-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 4-[(5-bromo-2-cyclobutyloxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 4-[[5-bromo-2-(cyclobutoxy)benzyl]-ethyl-amino]pyridazine-3-carboxylic acid Formula: C18H20BrN3O3 MolecularWeight: 406.2737

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OC2CCC2)C3=C(N=NC=C3)C(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OC2CCC2)C3=C(N=NC=C3)C(=O)O

InChI

InChI=1S/C18H20BrN3O3/c1-2-22(15-8-9-20-21-17(15)18(23)24)11-12-10-13(19)6-7-16(12)25-14-4-3-5-14/h6-10,14H,2-5,11H2,1H3,(H,23,24)