N-[4-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-[2-(4-bromanylpyrazol-1-yl)ethanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]phenyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[4-[[2-(4-bromo-1-pyrazolyl)-1-oxoethyl]amino]phenyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]phenyl]-1-methyl-pyrazole-3-carboxamide Formula: C16H15BrN6O2 MolecularWeight: 403.2333

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN6O2/c1-22-7-6-14(21-22)16(25)20-13-4-2-12(3-5-13)19-15(24)10-23-9-11(17)8-18-23/h2-9H,10H2,1H3,(H,19,24)(H,20,25)