5-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[[3-[(4-bromo-1-pyrazolyl)methyl]anilino]-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-[[3-[(4-bromopyrazol-1-yl)methyl]phenyl]carbamoyl]-1-methyl-pyrazole-4-carboxylic acid Formula: C16H14BrN5O3 MolecularWeight: 404.21806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC=CC(=C2)CN3C=C(C=N3)Br

InChI

InChI=1S/C16H14BrN5O3/c1-21-14(13(7-18-21)16(24)25)15(23)20-12-4-2-3-10(5-12)8-22-9-11(17)6-19-22/h2-7,9H,8H2,1H3,(H,20,23)(H,24,25)