3-[2-(4-chlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-[2-(4-chlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-[2-(4-chlorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-[2-(4-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(4-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(2-fluorophenyl)-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(4-chlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-1-(2-fluorophenyl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C28H23ClFN4O3+ MolecularWeight: 517.958623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3F)C4=C(NN(C4=O)C5=CC=C(C=C5)Cl)C(C)C

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3F)C4=C(NN(C4=O)C5=CC=C(C=C5)Cl)C(C)C

InChI

InChI=1S/C28H22ClFN4O3/c1-16(2)24-22(27(36)34(31-24)19-12-10-18(29)11-13-19)23-25(32-14-6-7-17(3)15-32)28(37)33(26(23)35)21-9-5-4-8-20(21)30/h4-16H,1-3H3/p+1