3-(4-bromanyl-5,9-diethyl-6-methyl-dodecan-6-yl)-1H-pyridazin-6-one

Systemtic Name: 3-(4-bromanyl-5,9-diethyl-6-methyl-dodecan-6-yl)-1H-pyridazin-6-one Openeye Name: 3-[1-(2-bromo-1-ethyl-pentyl)-4-ethyl-1-methyl-heptyl]-1H-pyridazin-6-one CAS Name: 3-(4-bromo-5,9-diethyl-6-methyldodecan-6-yl)-1H-pyridazin-6-one IUPAC Name: 3-(4-bromo-5,9-diethyl-6-methyldodecan-6-yl)-1H-pyridazin-6-one Traditional Name: 3-[1-(2-bromo-1-ethyl-pentyl)-4-ethyl-1-methyl-heptyl]-1H-pyridazin-6-one Formula: C21H37BrN2O MolecularWeight: 413.43528

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)CCC(C)(C1=NNC(=O)C=C1)C(CC)C(CCC)Br

Isomeric SMILES

CCCC(CC)CCC(C)(C1=NNC(=O)C=C1)C(CC)C(CCC)Br

InChI

InChI=1S/C21H37BrN2O/c1-6-10-16(8-3)14-15-21(5,17(9-4)18(22)11-7-2)19-12-13-20(25)24-23-19/h12-13,16-18H,6-11,14-15H2,1-5H3,(H,24,25)