3-(4-ethylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)F)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)F)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C27H21FN4O3/c1-3-18-13-15-30(16-14-18)24-23(25(33)31(27(24)35)20-11-9-19(28)10-12-20)22-17(2)29-32(26(22)34)21-7-5-4-6-8-21/h4-16H,3H2,1-2H3/p+1