2-(5-isocyano-3,6-dimethyl-pyridin-2-yl)-6-propyl-5-(trifluoromethyl)pyridazin-3-one

Systemtic Name: 2-(5-isocyano-3,6-dimethyl-pyridin-2-yl)-6-propyl-5-(trifluoromethyl)pyridazin-3-one Openeye Name: 2-(5-isocyano-3,6-dimethyl-2-pyridyl)-6-propyl-5-(trifluoromethyl)pyridazin-3-one CAS Name: 2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-6-propyl-5-(trifluoromethyl)-3-pyridazinone IUPAC Name: 2-(5-isocyano-3,6-dimethylpyridin-2-yl)-6-propyl-5-(trifluoromethyl)pyridazin-3-one Traditional Name: 2-(5-isocyano-3,6-dimethyl-2-pyridyl)-6-propyl-5-(trifluoromethyl)pyridazin-3-one Formula: C16H15F3N4O MolecularWeight: 336.31171

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C=C1C(F)(F)F)C2=NC(=C(C=C2C)[N+]#[C-])C

Isomeric SMILES

CCCC1=NN(C(=O)C=C1C(F)(F)F)C2=NC(=C(C=C2C)[N+]#[C-])C

InChI

InChI=1S/C16H15F3N4O/c1-5-6-12-11(16(17,18)19)8-14(24)23(22-12)15-9(2)7-13(20-4)10(3)21-15/h7-8H,5-6H2,1-3H3