1-(3-chlorophenyl)-3-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)[N+]5=CC=CC=C5

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)[N+]5=CC=CC=C5

InChI

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