[4-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl-ethyl-amino]pyridazin-3-yl] hydrogen carbonate

Systemtic Name: [4-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl-ethyl-amino]pyridazin-3-yl] hydrogen carbonate Openeye Name: [4-[[5-bromo-2-(2-methylallyloxy)phenyl]methyl-ethyl-amino]pyridazin-3-yl] hydrogen carbonate CAS Name: carbonic acid [4-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]-3-pyridazinyl] ester IUPAC Name: [4-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]pyridazin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [4-[[5-bromo-2-(2-methylallyloxy)benzyl]-ethyl-amino]pyridazin-3-yl] ester Formula: C18H20BrN3O4 MolecularWeight: 422.2731

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC(=C)C)C2=C(N=NC=C2)OC(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC(=C)C)C2=C(N=NC=C2)OC(=O)O

InChI

InChI=1S/C18H20BrN3O4/c1-4-22(15-7-8-20-21-17(15)26-18(23)24)10-13-9-14(19)5-6-16(13)25-11-12(2)3/h5-9H,2,4,10-11H2,1,3H3,(H,23,24)