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

Systemtic Name: N-[1-(1-adamantyl)propyl]-5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide Openeye Name: N-[1-(1-adamantyl)propyl]-5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxamide CAS Name: N-[1-(1-adamantyl)propyl]-5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furancarboxamide IUPAC Name: N-[1-(1-adamantyl)propyl]-5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carboxamide Traditional Name: N-[1-(1-adamantyl)propyl]-5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furamide Formula: C22H27BrN4O4 MolecularWeight: 491.37818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(O4)CN5C=C(C(=N5)[N+](=O)[O-])Br

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(O4)CN5C=C(C(=N5)[N+](=O)[O-])Br

InChI

InChI=1S/C22H27BrN4O4/c1-2-19(22-8-13-5-14(9-22)7-15(6-13)10-22)24-21(28)18-4-3-16(31-18)11-26-12-17(23)20(25-26)27(29)30/h3-4,12-15,19H,2,5-11H2,1H3,(H,24,28)