ethyl 1-(4-bromanyl-5-phenyl-1H-pyrazol-3-yl)-3-ethanoyl-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(4-bromanyl-5-phenyl-1H-pyrazol-3-yl)-3-ethanoyl-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-acetyl-1-(4-bromo-5-phenyl-1H-pyrazol-3-yl)-5-methyl-pyrazole-4-carboxylate CAS Name: 3-acetyl-1-(4-bromo-5-phenyl-1H-pyrazol-3-yl)-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyl-1-(4-bromo-5-phenyl-1H-pyrazol-3-yl)-5-methylpyrazole-4-carboxylate Traditional Name: 3-acetyl-1-(4-bromo-5-phenyl-1H-pyrazol-3-yl)-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H17BrN4O3 MolecularWeight: 417.25658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)C)C2=NNC(=C2Br)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)C)C2=NNC(=C2Br)C3=CC=CC=C3)C

InChI

InChI=1S/C18H17BrN4O3/c1-4-26-18(25)13-10(2)23(22-15(13)11(3)24)17-14(19)16(20-21-17)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,20,21)