5-[1,1-bis(fluoranyl)ethyl]-2-(5-isocyano-3,6-dimethyl-pyridin-2-yl)-4-propyl-pyridazin-3-one

Systemtic Name: 5-[1,1-bis(fluoranyl)ethyl]-2-(5-isocyano-3,6-dimethyl-pyridin-2-yl)-4-propyl-pyridazin-3-one Openeye Name: 5-(1,1-difluoroethyl)-2-(5-isocyano-3,6-dimethyl-2-pyridyl)-4-propyl-pyridazin-3-one CAS Name: 5-(1,1-difluoroethyl)-2-(5-isocyano-3,6-dimethyl-2-pyridinyl)-4-propyl-3-pyridazinone IUPAC Name: 5-(1,1-difluoroethyl)-2-(5-isocyano-3,6-dimethylpyridin-2-yl)-4-propylpyridazin-3-one Traditional Name: 5-(1,1-difluoroethyl)-2-(5-isocyano-3,6-dimethyl-2-pyridyl)-4-propyl-pyridazin-3-one Formula: C17H18F2N4O MolecularWeight: 332.347826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN(C1=O)C2=NC(=C(C=C2C)[N+]#[C-])C)C(C)(F)F

Isomeric SMILES

CCCC1=C(C=NN(C1=O)C2=NC(=C(C=C2C)[N+]#[C-])C)C(C)(F)F

InChI

InChI=1S/C17H18F2N4O/c1-6-7-12-13(17(4,18)19)9-21-23(16(12)24)15-10(2)8-14(20-5)11(3)22-15/h8-9H,6-7H2,1-4H3