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

Systemtic Name: 3-[2-(3-chlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-1-cyclohexyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 3-[2-(3-chlorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-1-cyclohexyl-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-cyclohexyl-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 3-[2-(3-chlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-cyclohexyl-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 3-[1-(3-chlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-1-cyclohexyl-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C27H28ClN4O3+ MolecularWeight: 491.98922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC=C5

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC=C5

InChI

InChI=1S/C27H27ClN4O3/c1-17(2)23-21(26(34)32(29-23)20-13-9-10-18(28)16-20)22-24(30-14-7-4-8-15-30)27(35)31(25(22)33)19-11-5-3-6-12-19/h4,7-10,13-17,19H,3,5-6,11-12H2,1-2H3/p+1