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

Systemtic Name: N-(1-adamantyl)-5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-(1-adamantyl)-5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-(1-adamantyl)-5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-(1-adamantyl)-5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-(1-adamantyl)-5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furamide Formula: C19H21BrN4O4 MolecularWeight: 449.29844

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(O4)CN5C=C(C(=N5)[N+](=O)[O-])Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(O4)CN5C=C(C(=N5)[N+](=O)[O-])Br

InChI

InChI=1S/C19H21BrN4O4/c20-15-10-23(22-17(15)24(26)27)9-14-1-2-16(28-14)18(25)21-19-6-11-3-12(7-19)5-13(4-11)8-19/h1-2,10-13H,3-9H2,(H,21,25)