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

Systemtic Name: 4-[2-(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)ethanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide Openeye Name: 4-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-1-ethyl-N-isobutyl-pyrazole-3-carboxamide CAS Name: 4-[[2-(4-bromo-5-methyl-3-nitro-1-pyrazolyl)-1-oxoethyl]amino]-1-ethyl-N-(2-methylpropyl)-3-pyrazolecarboxamide IUPAC Name: 4-[[2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide Traditional Name: 4-[[2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)acetyl]amino]-1-ethyl-N-isobutyl-pyrazole-3-carboxamide Formula: C16H22BrN7O4 MolecularWeight: 456.29438

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCC(C)C)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC(C)C)NC(=O)CN2C(=C(C(=N2)[N+](=O)[O-])Br)C

InChI

InChI=1S/C16H22BrN7O4/c1-5-22-7-11(14(20-22)16(26)18-6-9(2)3)19-12(25)8-23-10(4)13(17)15(21-23)24(27)28/h7,9H,5-6,8H2,1-4H3,(H,18,26)(H,19,25)