3-[6-methyl-4-propyl-9-(trifluoromethyl)dodecan-6-yl]-1H-pyridazin-6-one

Systemtic Name: 3-[6-methyl-4-propyl-9-(trifluoromethyl)dodecan-6-yl]-1H-pyridazin-6-one Openeye Name: 3-[1-methyl-1-(2-propylpentyl)-4-(trifluoromethyl)heptyl]-1H-pyridazin-6-one CAS Name: 3-[6-methyl-4-propyl-9-(trifluoromethyl)dodecan-6-yl]-1H-pyridazin-6-one IUPAC Name: 3-[6-methyl-4-propyl-9-(trifluoromethyl)dodecan-6-yl]-1H-pyridazin-6-one Traditional Name: 3-[1-methyl-1-(2-propylpentyl)-4-(trifluoromethyl)heptyl]-1H-pyridazin-6-one Formula: C21H35F3N2O MolecularWeight: 388.51061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35F3N2O/c1-5-8-16(9-6-2)15-20(4,18-11-12-19(27)26-25-18)14-13-17(10-7-3)21(22,23)24/h11-12,16-17H,5-10,13-15H2,1-4H3,(H,26,27)