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

Systemtic Name: ethyl 3-[(4-bromanyl-1-ethyl-pyrazol-3-yl)carbonylamino]-4-cyano-1-phenyl-pyrrole-2-carboxylate Openeye Name: ethyl 3-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-4-cyano-1-phenyl-pyrrole-2-carboxylate CAS Name: 3-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4-cyano-1-phenyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]-4-cyano-1-phenylpyrrole-2-carboxylate Traditional Name: 3-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-4-cyano-1-phenyl-pyrrole-2-carboxylic acid ethyl ester Formula: C20H18BrN5O3 MolecularWeight: 456.29262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN5O3/c1-3-25-12-15(21)17(24-25)19(27)23-16-13(10-22)11-26(14-8-6-5-7-9-14)18(16)20(28)29-4-2/h5-9,11-12H,3-4H2,1-2H3,(H,23,27)