4-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: 4-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Openeye Name: 4-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide CAS Name: 4-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-2-methyl-N-[(1-methyl-4-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: 4-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide Traditional Name: 4-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-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:

CC1=C(C(=NN1CC(=O)NC2=C(N(N=C2)C)C(=O)NCC3=CN(N=C3)C)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=C(N(N=C2)C)C(=O)NCC3=CN(N=C3)C)[N+](=O)[O-])Br

InChI

InChI=1S/C16H18BrN9O4/c1-9-13(17)15(26(29)30)22-25(9)8-12(27)21-11-6-20-24(3)14(11)16(28)18-4-10-5-19-23(2)7-10/h5-7H,4,8H2,1-3H3,(H,18,28)(H,21,27)