3-(1-adamantyl)-N-(4-nitrophenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-(4-nitrophenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-(4-nitrophenyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-(4-nitrophenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-(4-nitrophenyl)-1-phenyl-pyrazole-4-carboxamide Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O3/c31-25(27-20-6-8-22(9-7-20)30(32)33)23-16-29(21-4-2-1-3-5-21)28-24(23)26-13-17-10-18(14-26)12-19(11-17)15-26/h1-9,16-19H,10-15H2,(H,27,31)