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

Systemtic Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxidanylidene-1H-pyrazol-4-yl]-1-(phenylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-benzyl-3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-1-(phenylmethyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-[2-(3-chlorophenyl)-5-ethyl-3-oxo-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-[1-(3-chlorophenyl)-3-ethyl-5-keto-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C27H22ClN4O3+ MolecularWeight: 485.94158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)[N+]5=CC=CC=C5

Isomeric SMILES

CCC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)[N+]5=CC=CC=C5

InChI

InChI=1S/C27H21ClN4O3/c1-2-21-22(26(34)32(29-21)20-13-9-12-19(28)16-20)23-24(30-14-7-4-8-15-30)27(35)31(25(23)33)17-18-10-5-3-6-11-18/h3-16H,2,17H2,1H3/p+1