N-[3-[(4-bromanyl-1H-pyrazol-5-yl)carbonylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: N-[3-[(4-bromanyl-1H-pyrazol-5-yl)carbonylamino]phenyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: N-[3-[[(4-bromo-1H-pyrazol-5-yl)-oxomethyl]amino]phenyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-2-ethylpyrazole-3-carboxamide Traditional Name: N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-2-ethyl-pyrazole-3-carboxamide Formula: C16H15BrN6O2 MolecularWeight: 403.2333

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC=N1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=C(C=NN3)Br

Isomeric SMILES

CCN1C(=CC=N1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=C(C=NN3)Br

InChI

InChI=1S/C16H15BrN6O2/c1-2-23-13(6-7-19-23)15(24)20-10-4-3-5-11(8-10)21-16(25)14-12(17)9-18-22-14/h3-9H,2H2,1H3,(H,18,22)(H,20,24)(H,21,25)