ethyl 4-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-5-cyano-2-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-5-cyano-2-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-5-cyano-2-phenyl-pyrazole-3-carboxylate CAS Name: 4-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-5-cyano-2-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]-5-cyano-2-phenylpyrazole-3-carboxylate Traditional Name: 4-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-5-cyano-2-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C19H17BrN6O3 MolecularWeight: 457.28068

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=C(N(N=C2C#N)C3=CC=CC=C3)C(=O)OCC)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=C(N(N=C2C#N)C3=CC=CC=C3)C(=O)OCC)Br

InChI

InChI=1S/C19H17BrN6O3/c1-3-25-11-13(20)15(24-25)18(27)22-16-14(10-21)23-26(12-8-6-5-7-9-12)17(16)19(28)29-4-2/h5-9,11H,3-4H2,1-2H3,(H,22,27)