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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C4=C(NN(C4=O)C5=CC=CC=C5)C(C)C

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C4=C(NN(C4=O)C5=CC=CC=C5)C(C)C

InChI

InChI=1S/C29H25FN4O3/c1-18(2)25-23(28(36)34(31-25)22-9-5-4-6-10-22)24-26(32-15-7-8-19(3)16-32)29(37)33(27(24)35)17-20-11-13-21(30)14-12-20/h4-16,18H,17H2,1-3H3/p+1