3-(1-adamantyl)-N-(4-nitro-2-oxidanyl-phenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(4-nitro-2-oxidanyl-phenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(2-hydroxy-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(2-hydroxy-4-nitrophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(2-hydroxy-4-nitrophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(2-hydroxy-4-nitro-phenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])O)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])O)C6=CC=CC=C6

InChI

InChI=1S/C26H26N4O4/c31-23-11-20(30(33)34)6-7-22(23)27-25(32)21-15-29(19-4-2-1-3-5-19)28-24(21)26-12-16-8-17(13-26)10-18(9-16)14-26/h1-7,11,15-18,31H,8-10,12-14H2,(H,27,32)