3-(16-bromanyl-8-methyl-hexadecan-8-yl)-1H-pyridazin-6-one

Systemtic Name: 3-(16-bromanyl-8-methyl-hexadecan-8-yl)-1H-pyridazin-6-one Openeye Name: 3-(9-bromo-1-heptyl-1-methyl-nonyl)-1H-pyridazin-6-one CAS Name: 3-(16-bromo-8-methylhexadecan-8-yl)-1H-pyridazin-6-one IUPAC Name: 3-(16-bromo-8-methylhexadecan-8-yl)-1H-pyridazin-6-one Traditional Name: 3-(9-bromo-1-heptyl-1-methyl-nonyl)-1H-pyridazin-6-one Formula: C21H37BrN2O MolecularWeight: 413.43528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)(CCCCCCCCBr)C1=NNC(=O)C=C1

Isomeric SMILES

CCCCCCCC(C)(CCCCCCCCBr)C1=NNC(=O)C=C1

InChI

InChI=1S/C21H37BrN2O/c1-3-4-5-8-11-16-21(2,19-14-15-20(25)24-23-19)17-12-9-6-7-10-13-18-22/h14-15H,3-13,16-18H2,1-2H3,(H,24,25)