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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C25H17BrN4O3 MolecularWeight: 501.33148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Br)C5=CC=CC=C5

InChI

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