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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25FN4O3/c1-4-19-9-8-16-32(17-19)26-24(27(35)33(29(26)37)21-14-12-20(30)13-15-21)23-25(18(2)3)31-34(28(23)36)22-10-6-5-7-11-22/h5-18H,4H2,1-3H3/p+1