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

Systemtic Name: 3-[2-(4-fluorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-1-(4-methoxyphenyl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(4-fluorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-1-(4-methoxyphenyl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C28H24FN4O4+ MolecularWeight: 499.512963

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=C(C=C4)OC)[N+]5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H23FN4O4/c1-3-7-22-23(27(35)33(30-22)20-10-8-18(29)9-11-20)24-25(31-16-5-4-6-17-31)28(36)32(26(24)34)19-12-14-21(37-2)15-13-19/h4-6,8-17H,3,7H2,1-2H3/p+1