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

Systemtic Name: ethyl 4-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylamino]-5-cyano-2-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-[(4-bromo-2-methyl-pyrazole-3-carbonyl)amino]-5-cyano-2-phenyl-pyrazole-3-carboxylate CAS Name: 4-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-5-cyano-2-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-5-cyano-2-phenylpyrazole-3-carboxylate Traditional Name: 4-[(4-bromo-2-methyl-pyrazole-3-carbonyl)amino]-5-cyano-2-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C18H15BrN6O3 MolecularWeight: 443.2541

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1C2=CC=CC=C2)C#N)NC(=O)C3=C(C=NN3C)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1C2=CC=CC=C2)C#N)NC(=O)C3=C(C=NN3C)Br

InChI

InChI=1S/C18H15BrN6O3/c1-3-28-18(27)16-14(22-17(26)15-12(19)10-21-24(15)2)13(9-20)23-25(16)11-7-5-4-6-8-11/h4-8,10H,3H2,1-2H3,(H,22,26)