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

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-furancarboxamide IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-furamide Formula: C17H19BrN6O4 MolecularWeight: 451.27456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC=C(O2)CN3C=C(C(=N3)[N+](=O)[O-])Br)C

InChI

InChI=1S/C17H19BrN6O4/c1-11-8-12(2)23(20-11)7-3-6-19-17(25)15-5-4-13(28-15)9-22-10-14(18)16(21-22)24(26)27/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,19,25)