N-(4-acetamidophenyl)-1-[(4-bromanylpyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-1-[(4-bromanylpyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(4-acetamidophenyl)-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(4-acetamidophenyl)-1-[(4-bromo-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(4-acetamidophenyl)-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(4-acetamidophenyl)-1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C16H15BrN6O2 MolecularWeight: 403.2333

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C=C2)CN3C=C(C=N3)Br

InChI

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