(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid (4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (4-ketopyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C25H18N4O3 MolecularWeight: 422.43542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18N4O3/c30-23-15-19(26-22-13-7-8-14-28(22)23)17-32-25(31)21-16-29(20-11-5-2-6-12-20)27-24(21)18-9-3-1-4-10-18/h1-16H,17H2