3-(1-adamantyl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]-1-phenyl-pyrazole-4-carboxamide Formula: C29H32N4O5 MolecularWeight: 516.58818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O5/c34-17-25(26(35)21-6-8-23(9-7-21)33(37)38)30-28(36)24-16-32(22-4-2-1-3-5-22)31-27(24)29-13-18-10-19(14-29)12-20(11-18)15-29/h1-9,16,18-20,25-26,34-35H,10-15,17H2,(H,30,36)