2-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-5-(3-nitrophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-5-(3-nitrophenyl)-1,3,4-oxadiazole Openeye Name: 2-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-5-(3-nitrophenyl)-1,3,4-oxadiazole CAS Name: 2-[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-5-(3-nitrophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-5-(3-nitrophenyl)-1,3,4-oxadiazole Traditional Name: 2-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-5-(3-nitrophenyl)-1,3,4-oxadiazole Formula: C27H25N5O3 MolecularWeight: 467.5191

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C5=NN=C(O5)C6=CC(=CC=C6)[N+](=O)[O-])C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C5=NN=C(O5)C6=CC(=CC=C6)[N+](=O)[O-])C7=CC=CC=C7

InChI

InChI=1S/C27H25N5O3/c33-32(34)22-8-4-5-20(12-22)25-28-29-26(35-25)23-16-31(21-6-2-1-3-7-21)30-24(23)27-13-17-9-18(14-27)11-19(10-17)15-27/h1-8,12,16-19H,9-11,13-15H2