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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-[(4-fluorophenyl)methyl]-3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-[(4-fluorophenyl)methyl]-3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-(4-fluorobenzyl)-3-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C28H24FN4O3+ MolecularWeight: 483.513563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=C(C=C4)F)[N+]5=CC=CC=C5

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=C(C=C4)F)[N+]5=CC=CC=C5

InChI

InChI=1S/C28H23FN4O3/c1-2-9-22-23(27(35)33(30-22)21-10-5-3-6-11-21)24-25(31-16-7-4-8-17-31)28(36)32(26(24)34)18-19-12-14-20(29)15-13-19/h3-8,10-17H,2,9,18H2,1H3/p+1