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

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-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 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H15BrN4O4 MolecularWeight: 455.2615

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C4=CC=CC=C4

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H15BrN4O4/c1-28-16-11-25(15-5-3-2-4-6-15)23-19(16)20(27)29-12-14-9-18(26)24-10-13(21)7-8-17(24)22-14/h2-11H,12H2,1H3