ethyl 5-[[4-(4-bromanylpyrazol-1-yl)phenyl]carbamoyl]-1-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[4-(4-bromanylpyrazol-1-yl)phenyl]carbamoyl]-1-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-[[4-(4-bromopyrazol-1-yl)phenyl]carbamoyl]-1-methyl-pyrazole-3-carboxylate CAS Name: 5-[[4-(4-bromo-1-pyrazolyl)anilino]-oxomethyl]-1-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(4-bromopyrazol-1-yl)phenyl]carbamoyl]-1-methylpyrazole-3-carboxylate Traditional Name: 5-[[4-(4-bromopyrazol-1-yl)phenyl]carbamoyl]-1-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)N3C=C(C=N3)Br)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)N3C=C(C=N3)Br)C

InChI

InChI=1S/C17H16BrN5O3/c1-3-26-17(25)14-8-15(22(2)21-14)16(24)20-12-4-6-13(7-5-12)23-10-11(18)9-19-23/h4-10H,3H2,1-2H3,(H,20,24)