3-[2-(2,4-dimethylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-[2-(2,4-dimethylphenyl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(2,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(2,4-dimethylphenyl)-5-keto-3-methyl-3-pyrazolin-4-yl]-1-(4-fluorophenyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C27H22FN4O3+ MolecularWeight: 469.486983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(=C(N2)C)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)F)[N+]5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C(=C(N2)C)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)F)[N+]5=CC=CC=C5)C

InChI

InChI=1S/C27H21FN4O3/c1-16-7-12-21(17(2)15-16)32-26(34)22(18(3)29-32)23-24(30-13-5-4-6-14-30)27(35)31(25(23)33)20-10-8-19(28)9-11-20/h4-15H,1-3H3/p+1