6-[(6-bromanyl-2,2,3-triethyl-3-oxidanyl-4H-chromen-4-yl)oxy]-2-methyl-pyridazin-3-one

Systemtic Name: 6-[(6-bromanyl-2,2,3-triethyl-3-oxidanyl-4H-chromen-4-yl)oxy]-2-methyl-pyridazin-3-one Openeye Name: 6-(6-bromo-2,2,3-triethyl-3-hydroxy-chroman-4-yl)oxy-2-methyl-pyridazin-3-one CAS Name: 6-[(6-bromo-2,2,3-triethyl-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl)oxy]-2-methyl-3-pyridazinone IUPAC Name: 6-[(6-bromo-2,2,3-triethyl-3-hydroxy-4H-chromen-4-yl)oxy]-2-methylpyridazin-3-one Traditional Name: 6-(6-bromo-2,2,3-triethyl-3-hydroxy-chroman-4-yl)oxy-2-methyl-pyridazin-3-one Formula: C20H25BrN2O4 MolecularWeight: 437.3275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(C2=C(O1)C=CC(=C2)Br)OC3=NN(C(=O)C=C3)C)(CC)O)CC

Isomeric SMILES

CCC1(C(C(C2=C(O1)C=CC(=C2)Br)OC3=NN(C(=O)C=C3)C)(CC)O)CC

InChI

InChI=1S/C20H25BrN2O4/c1-5-19(6-2)20(25,7-3)18(14-12-13(21)8-9-15(14)27-19)26-16-10-11-17(24)23(4)22-16/h8-12,18,25H,5-7H2,1-4H3