[1-methyl-2-oxidanylidene-3-[3-phenyl-2-(phenylcarbonyl)-3,4-dihydropyrazol-5-yl]-3H-quinolin-1-ium-4-yl] benzoate

Systemtic Name: [1-methyl-2-oxidanylidene-3-[3-phenyl-2-(phenylcarbonyl)-3,4-dihydropyrazol-5-yl]-3H-quinolin-1-ium-4-yl] benzoate Openeye Name: [3-(2-benzoyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1-methyl-2-oxo-3H-quinolin-1-ium-4-yl] benzoate CAS Name: benzoic acid [3-(2-benzoyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1-methyl-2-oxo-3H-quinolin-1-ium-4-yl] ester IUPAC Name: [3-(2-benzoyl-3-phenyl-3,4-dihydropyrazol-5-yl)-1-methyl-2-oxo-3H-quinolin-1-ium-4-yl] benzoate Traditional Name: benzoic acid [3-(1-benzoyl-5-phenyl-2-pyrazolin-3-yl)-2-keto-1-methyl-3H-quinolin-1-ium-4-yl] ester Formula: C33H26N3O4+ MolecularWeight: 528.57724

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C(C1=O)C3=NN(C(C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C(C1=O)C3=NN(C(C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H26N3O4/c1-35-27-20-12-11-19-25(27)30(40-33(39)24-17-9-4-10-18-24)29(32(35)38)26-21-28(22-13-5-2-6-14-22)36(34-26)31(37)23-15-7-3-8-16-23/h2-20,28-29H,21H2,1H3/q+1