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

Systemtic Name: 1-cyclohexyl-3-[2-(4-fluorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-[2-(4-fluorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3-methyl-1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-[2-(4-fluorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-(3-methylpyridin-1-ium-1-yl)pyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-[1-(4-fluorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C28H30FN4O3+ MolecularWeight: 489.561203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC=C(C=C5)F)C(C)C

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3CCCCC3)C4=C(NN(C4=O)C5=CC=C(C=C5)F)C(C)C

InChI

InChI=1S/C28H29FN4O3/c1-17(2)24-22(27(35)33(30-24)21-13-11-19(29)12-14-21)23-25(31-15-7-8-18(3)16-31)28(36)32(26(23)34)20-9-5-4-6-10-20/h7-8,11-17,20H,4-6,9-10H2,1-3H3/p+1