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

Systemtic Name: N-[4-[2-(4-bromanylpyrazol-1-yl)propanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-[2-(4-bromopyrazol-1-yl)propanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[4-[[2-(4-bromo-1-pyrazolyl)-1-oxopropyl]amino]phenyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-[2-(4-bromopyrazol-1-yl)propanoylamino]phenyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[4-[2-(4-bromopyrazol-1-yl)propanoylamino]phenyl]-1-methyl-pyrazole-3-carboxamide Formula: C17H17BrN6O2 MolecularWeight: 417.25988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C=C2)C)N3C=C(C=N3)Br

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C=C2)C)N3C=C(C=N3)Br

InChI

InChI=1S/C17H17BrN6O2/c1-11(24-10-12(18)9-19-24)16(25)20-13-3-5-14(6-4-13)21-17(26)15-7-8-23(2)22-15/h3-11H,1-2H3,(H,20,25)(H,21,26)