3-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate

Systemtic Name: 3-[[3-(4-bromanyl-1-methyl-pyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate Openeye Name: 3-[[3-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate CAS Name: 3-[[3-(4-bromo-1-methyl-3-pyrazolyl)anilino]-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-[[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]carbamoyl]pyrazine-2-carboxylate Traditional Name: 3-[[3-(4-bromo-1-methyl-pyrazol-3-yl)phenyl]carbamoyl]pyrazinate Formula: C16H11BrN5O3- MolecularWeight: 401.19424

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)C3=NC=CN=C3C(=O)[O-])Br

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)C3=NC=CN=C3C(=O)[O-])Br

InChI

InChI=1S/C16H12BrN5O3/c1-22-8-11(17)12(21-22)9-3-2-4-10(7-9)20-15(23)13-14(16(24)25)19-6-5-18-13/h2-8H,1H3,(H,20,23)(H,24,25)/p-1