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

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-fluorophenyl)-4-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-fluorophenyl)-4-(5-isopropyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-1-(2-fluorophenyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-fluorophenyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-(2-fluorophenyl)-4-(3-isopropyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C29H26FN4O3+ MolecularWeight: 497.540143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25FN4O3/c1-17(2)25-23(28(36)34(31-25)20-10-6-5-7-11-20)24-26(32-15-18(3)14-19(4)16-32)29(37)33(27(24)35)22-13-9-8-12-21(22)30/h5-17H,1-4H3/p+1