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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)C4=CC=CC=C4)[N+]5=CC=CC(=C5)CC

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)C4=CC=CC=C4)[N+]5=CC=CC(=C5)CC

InChI

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