4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: 4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Openeye Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide CAS Name: 4-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-2-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Traditional Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Formula: C16H18BrN9O4 MolecularWeight: 480.27602

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=C(C=NN2C)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=C(C=NN2C)NC(=O)CCN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H18BrN9O4/c1-23-8-10(6-19-23)5-18-16(28)14-12(7-20-24(14)2)21-13(27)3-4-25-9-11(17)15(22-25)26(29)30/h6-9H,3-5H2,1-2H3,(H,18,28)(H,21,27)