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

Systemtic Name: N-(1-adamantylmethyl)-5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-(1-adamantylmethyl)-5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-(1-adamantylmethyl)-5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-(1-adamantylmethyl)-5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-(1-adamantylmethyl)-5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furamide Formula: C20H23BrN4O4 MolecularWeight: 463.32502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN4O4/c21-16-10-24(23-18(16)25(27)28)9-15-1-2-17(29-15)19(26)22-11-20-6-12-3-13(7-20)5-14(4-12)8-20/h1-2,10,12-14H,3-9,11H2,(H,22,26)