4-[(5-bromanyl-2-propoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylate

Systemtic Name: 4-[(5-bromanyl-2-propoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylate Openeye Name: 4-[(5-bromo-2-propoxy-phenyl)methyl-ethyl-amino]pyridazine-3-carboxylate CAS Name: 4-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]-3-pyridazinecarboxylate IUPAC Name: 4-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylate Traditional Name: 4-[(5-bromo-2-propoxy-benzyl)-ethyl-amino]pyridazine-3-carboxylate Formula: C17H19BrN3O3- MolecularWeight: 393.25506

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)CN(CC)C2=C(N=NC=C2)C(=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)CN(CC)C2=C(N=NC=C2)C(=O)[O-]

InChI

InChI=1S/C17H20BrN3O3/c1-3-9-24-15-6-5-13(18)10-12(15)11-21(4-2)14-7-8-19-20-16(14)17(22)23/h5-8,10H,3-4,9,11H2,1-2H3,(H,22,23)/p-1