3-(4-bromanyl-6-chloranyl-2-fluoranyl-3-methyl-4-pentyl-undecan-3-yl)-1H-pyridazin-6-one

Systemtic Name: 3-(4-bromanyl-6-chloranyl-2-fluoranyl-3-methyl-4-pentyl-undecan-3-yl)-1H-pyridazin-6-one Openeye Name: 3-[2-bromo-4-chloro-1-(1-fluoroethyl)-1-methyl-2-pentyl-nonyl]-1H-pyridazin-6-one CAS Name: 3-(4-bromo-6-chloro-2-fluoro-3-methyl-4-pentylundecan-3-yl)-1H-pyridazin-6-one IUPAC Name: 3-(4-bromo-6-chloro-2-fluoro-3-methyl-4-pentylundecan-3-yl)-1H-pyridazin-6-one Traditional Name: 3-[2-amyl-2-bromo-4-chloro-1-(1-fluoroethyl)-1-methyl-nonyl]-1H-pyridazin-6-one Formula: C21H35BrClFN2O MolecularWeight: 465.870803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(CCCCC)(C(C)(C1=NNC(=O)C=C1)C(C)F)Br)Cl

Isomeric SMILES

CCCCCC(CC(CCCCC)(C(C)(C1=NNC(=O)C=C1)C(C)F)Br)Cl

InChI

InChI=1S/C21H35BrClFN2O/c1-5-7-9-11-17(23)15-21(22,14-10-8-6-2)20(4,16(3)24)18-12-13-19(27)26-25-18/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,26,27)