3-(7-bromanyl-5-butyl-4,7-diethyl-decan-5-yl)-1H-pyridazin-6-one

Systemtic Name: 3-(7-bromanyl-5-butyl-4,7-diethyl-decan-5-yl)-1H-pyridazin-6-one Openeye Name: 3-[3-bromo-1-butyl-3-ethyl-1-(1-ethylbutyl)hexyl]-1H-pyridazin-6-one CAS Name: 3-(7-bromo-5-butyl-4,7-diethyldecan-5-yl)-1H-pyridazin-6-one IUPAC Name: 3-(7-bromo-5-butyl-4,7-diethyldecan-5-yl)-1H-pyridazin-6-one Traditional Name: 3-[3-bromo-1-butyl-3-ethyl-1-(1-ethylbutyl)hexyl]-1H-pyridazin-6-one Formula: C22H39BrN2O MolecularWeight: 427.46186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39BrN2O/c1-6-11-16-22(18(9-4)12-7-2,17-21(23,10-5)15-8-3)19-13-14-20(26)25-24-19/h13-14,18H,6-12,15-17H2,1-5H3,(H,25,26)