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

Systemtic Name: 2-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole Openeye Name: 2-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole CAS Name: 2-[3-(1-adamantyl)-1-phenyl-4-pyrazolyl]-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole IUPAC Name: 2-[3-(1-adamantyl)-1-phenylpyrazol-4-yl]-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole Traditional Name: 2-[3-(1-adamantyl)-1-phenyl-pyrazol-4-yl]-5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole Formula: C28H26N4O3 MolecularWeight: 466.53104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C5=NN=C(O5)C6=CC7=C(C=C6)OCO7)C8=CC=CC=C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C5=NN=C(O5)C6=CC7=C(C=C6)OCO7)C8=CC=CC=C8

InChI

InChI=1S/C28H26N4O3/c1-2-4-21(5-3-1)32-15-22(25(31-32)28-12-17-8-18(13-28)10-19(9-17)14-28)27-30-29-26(35-27)20-6-7-23-24(11-20)34-16-33-23/h1-7,11,15,17-19H,8-10,12-14,16H2