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

Systemtic Name: N-[1-(1-adamantyl)pyrazol-3-yl]-5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxamide Openeye Name: N-[1-(1-adamantyl)pyrazol-3-yl]-5-[(4-methyl-2-nitro-phenoxy)methyl]furan-2-carboxamide CAS Name: N-[1-(1-adamantyl)-3-pyrazolyl]-5-[(4-methyl-2-nitrophenoxy)methyl]-2-furancarboxamide IUPAC Name: N-[1-(1-adamantyl)pyrazol-3-yl]-5-[(4-methyl-2-nitrophenoxy)methyl]furan-2-carboxamide Traditional Name: N-[1-(1-adamantyl)pyrazol-3-yl]-5-[(4-methyl-2-nitro-phenoxy)methyl]-2-furamide Formula: C26H28N4O5 MolecularWeight: 476.52432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC=C(O2)C(=O)NC3=NN(C=C3)C45CC6CC(C4)CC(C6)C5)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O5/c1-16-2-4-22(21(8-16)30(32)33)34-15-20-3-5-23(35-20)25(31)27-24-6-7-29(28-24)26-12-17-9-18(13-26)11-19(10-17)14-26/h2-8,17-19H,9-15H2,1H3,(H,27,28,31)