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

Systemtic Name: 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-(3-chlorophenyl)-3-[1-(4-fluorophenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C27H21ClFN4O3+ MolecularWeight: 503.932043

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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=C4)Cl)[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(=CC=C4)Cl)[N+]5=CC=CC=C5

InChI

InChI=1S/C27H20ClFN4O3/c1-2-7-21-22(26(35)33(30-21)19-12-10-18(29)11-13-19)23-24(31-14-4-3-5-15-31)27(36)32(25(23)34)20-9-6-8-17(28)16-20/h3-6,8-16H,2,7H2,1H3/p+1