4-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole

Systemtic Name: 4-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole Openeye Name: 4-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole CAS Name: 4-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole IUPAC Name: 4-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole Traditional Name: 4-(1-adamantyl)-3-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)-1H-pyrazole Formula: C21H21F3N2O2 MolecularWeight: 390.39885

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(NN=C4C5=CC6=C(C=C5)OCO6)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(NN=C4C5=CC6=C(C=C5)OCO6)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O2/c22-21(23,24)19-17(20-7-11-3-12(8-20)5-13(4-11)9-20)18(25-26-19)14-1-2-15-16(6-14)28-10-27-15/h1-2,6,11-13H,3-5,7-10H2,(H,25,26)