4-[6-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl-ethyl-amino]pyridazin-3-yl]-2-methyl-1H-pyrazol-3-one

Systemtic Name: 4-[6-[[5-bromanyl-2-(2-methylprop-2-enoxy)phenyl]methyl-ethyl-amino]pyridazin-3-yl]-2-methyl-1H-pyrazol-3-one Openeye Name: 4-[6-[[5-bromo-2-(2-methylallyloxy)phenyl]methyl-ethyl-amino]pyridazin-3-yl]-2-methyl-1H-pyrazol-3-one CAS Name: 4-[6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]-3-pyridazinyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 4-[6-[[5-bromo-2-(2-methylprop-2-enoxy)phenyl]methyl-ethylamino]pyridazin-3-yl]-2-methyl-1H-pyrazol-3-one Traditional Name: 4-[6-[[5-bromo-2-(2-methylallyloxy)benzyl]-ethyl-amino]pyridazin-3-yl]-2-methyl-3-pyrazolin-3-one Formula: C21H24BrN5O2 MolecularWeight: 458.35156

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC(=C)C)C2=NN=C(C=C2)C3=CNN(C3=O)C

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC(=C)C)C2=NN=C(C=C2)C3=CNN(C3=O)C

InChI

InChI=1S/C21H24BrN5O2/c1-5-27(12-15-10-16(22)6-8-19(15)29-13-14(2)3)20-9-7-18(24-25-20)17-11-23-26(4)21(17)28/h6-11,23H,2,5,12-13H2,1,3-4H3