3-(3-ethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(3-methylphenyl)pyrrole-2,5-dione

Systemtic Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)-1-(3-methylphenyl)pyrrole-2,5-dione Openeye Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(m-tolyl)pyrrole-2,5-dione CAS Name: 3-(3-ethyl-1-pyridin-1-iumyl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(3-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-1-(3-methylphenyl)pyrrole-2,5-dione Traditional Name: 3-(3-ethylpyridin-1-ium-1-yl)-4-(5-keto-3-methyl-1-phenyl-3-pyrazolin-4-yl)-1-(m-tolyl)-3-pyrroline-2,5-quinone Formula: C28H25N4O3+ MolecularWeight: 465.5231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=CC(=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C

Isomeric SMILES

CCC1=C[N+](=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=CC(=C3)C)C4=C(NN(C4=O)C5=CC=CC=C5)C

InChI

InChI=1S/C28H24N4O3/c1-4-20-11-9-15-30(17-20)25-24(26(33)31(28(25)35)22-14-8-10-18(2)16-22)23-19(3)29-32(27(23)34)21-12-6-5-7-13-21/h5-17H,4H2,1-3H3/p+1