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

Systemtic Name: 4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide Openeye Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-1-ethyl-N-isobutyl-pyrazole-3-carboxamide CAS Name: 4-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-1-ethyl-N-(2-methylpropyl)-3-pyrazolecarboxamide IUPAC Name: 4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide Traditional Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-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)CCN2C=C(C(=N2)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC(C)C)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br

InChI

InChI=1S/C16H22BrN7O4/c1-4-22-9-12(14(20-22)16(26)18-7-10(2)3)19-13(25)5-6-23-8-11(17)15(21-23)24(27)28/h8-10H,4-7H2,1-3H3,(H,18,26)(H,19,25)