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

Systemtic Name: 1-(2-fluorophenyl)-3-[2-(4-fluorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-(2-fluorophenyl)-3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-(2-fluorophenyl)-3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(2-fluorophenyl)-3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-(2-fluorophenyl)-3-[1-(4-fluorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C28H23F2N4O3+ MolecularWeight: 501.504026

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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=C4F)[N+]5=CC=CC(=C5)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=C(C=C2)F)C3=C(C(=O)N(C3=O)C4=CC=CC=C4F)[N+]5=CC=CC(=C5)C

InChI

InChI=1S/C28H22F2N4O3/c1-3-7-21-23(27(36)34(31-21)19-13-11-18(29)12-14-19)24-25(32-15-6-8-17(2)16-32)28(37)33(26(24)35)22-10-5-4-9-20(22)30/h4-6,8-16H,3,7H2,1-2H3/p+1