3-[8-ethyl-14-(2-fluoranylethyl)-6-pentyl-heptadecan-8-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[8-ethyl-14-(2-fluoranylethyl)-6-pentyl-heptadecan-8-yl]-1H-pyridazin-6-one Openeye Name: 3-[1-ethyl-7-(2-fluoroethyl)-1-(2-pentylheptyl)decyl]-1H-pyridazin-6-one CAS Name: 3-[8-ethyl-14-(2-fluoroethyl)-6-pentylheptadecan-8-yl]-1H-pyridazin-6-one IUPAC Name: 3-[8-ethyl-14-(2-fluoroethyl)-6-pentylheptadecan-8-yl]-1H-pyridazin-6-one Traditional Name: 3-[1-(2-amylheptyl)-1-ethyl-7-(2-fluoroethyl)decyl]-1H-pyridazin-6-one Formula: C30H55FN2O MolecularWeight: 478.768903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCCCC)CC(CC)(CCCCCC(CCC)CCF)C1=NNC(=O)C=C1

Isomeric SMILES

CCCCCC(CCCCC)CC(CC)(CCCCCC(CCC)CCF)C1=NNC(=O)C=C1

InChI

InChI=1S/C30H55FN2O/c1-5-9-12-18-27(19-13-10-6-2)25-30(8-4,28-20-21-29(34)33-32-28)23-15-11-14-17-26(16-7-3)22-24-31/h20-21,26-27H,5-19,22-25H2,1-4H3,(H,33,34)