4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-[3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[3-(4-bromo-3-nitro-1-pyrazolyl)-1-oxopropyl]amino]-N-(1,5-dimethyl-4-pyrazolyl)-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-2-ethylpyrazole-3-carboxamide Traditional Name: 4-[3-(4-bromo-3-nitro-pyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-2-ethyl-pyrazole-3-carboxamide Formula: C17H20BrN9O4 MolecularWeight: 494.3026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)NC3=C(N(N=C3)C)C

Isomeric SMILES

CCN1C(=C(C=N1)NC(=O)CCN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)NC3=C(N(N=C3)C)C

InChI

InChI=1S/C17H20BrN9O4/c1-4-26-15(17(29)22-12-7-19-24(3)10(12)2)13(8-20-26)21-14(28)5-6-25-9-11(18)16(23-25)27(30)31/h7-9H,4-6H2,1-3H3,(H,21,28)(H,22,29)