2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one Openeye Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one CAS Name: 2-[2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl]-6-phenyl-4-(trifluoromethyl)-3-pyridazinone IUPAC Name: 2-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one Traditional Name: 2-[2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one Formula: C22H20F3N3O2 MolecularWeight: 415.40831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)CN2C(=O)C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O2/c1-4-10-27-14(2)11-17(15(27)3)20(29)13-28-21(30)18(22(23,24)25)12-19(26-28)16-8-6-5-7-9-16/h4-9,11-12H,1,10,13H2,2-3H3