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

Systemtic Name: 4-[[5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-yl]carbonylamino]-N-(1,5-dimethylpyrazol-4-yl)-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carbonyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-[[[5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]-N-(1,5-dimethyl-4-pyrazolyl)-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-[[5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-2-ethylpyrazole-3-carboxamide Traditional Name: 4-[[5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-2-ethyl-pyrazole-3-carboxamide Formula: C20H20BrN9O5 MolecularWeight: 546.3341

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C(=O)NC4=C(N(N=C4)C)C

Isomeric SMILES

CCN1C(=C(C=N1)NC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C(=O)NC4=C(N(N=C4)C)C

InChI

InChI=1S/C20H20BrN9O5/c1-4-29-17(20(32)24-14-7-22-27(3)11(14)2)15(8-23-29)25-19(31)16-6-5-12(35-16)9-28-10-13(21)18(26-28)30(33)34/h5-8,10H,4,9H2,1-3H3,(H,24,32)(H,25,31)