(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2,5-diphenylpyrazole-3-carboxylate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C25H18BrN4O3+ MolecularWeight: 502.33942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)C(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Br)C5=CC=CC=C5

InChI

InChI=1S/C25H17BrN4O3/c26-18-11-12-23-27-19(13-24(31)29(23)15-18)16-33-25(32)22-14-21(17-7-3-1-4-8-17)28-30(22)20-9-5-2-6-10-20/h1-15H,16H2/p+1