2-[[5-(benzimidazol-2-ylidene)-1,2-dihydropyrazol-3-yl]oxy]-1-(3-methyl-1-adamantyl)ethanone

Systemtic Name: 2-[[5-(benzimidazol-2-ylidene)-1,2-dihydropyrazol-3-yl]oxy]-1-(3-methyl-1-adamantyl)ethanone Openeye Name: 2-[[5-(benzimidazol-2-ylidene)-1,2-dihydropyrazol-3-yl]oxy]-1-(3-methyl-1-adamantyl)ethanone CAS Name: 2-[[5-(2-benzimidazolylidene)-1,2-dihydropyrazol-3-yl]oxy]-1-(3-methyl-1-adamantyl)ethanone IUPAC Name: 2-[[5-(benzimidazol-2-ylidene)-1,2-dihydropyrazol-3-yl]oxy]-1-(3-methyl-1-adamantyl)ethanone Traditional Name: 2-[[5-(benzimidazol-2-ylidene)-3-pyrazolin-3-yl]oxy]-1-(3-methyl-1-adamantyl)ethanone Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)C(=O)COC4=CC(=C5N=C6C=CC=CC6=N5)NN4

Isomeric SMILES

CC12CC3CC(C1)CC(C3)(C2)C(=O)COC4=CC(=C5N=C6C=CC=CC6=N5)NN4

InChI

InChI=1S/C23H26N4O2/c1-22-8-14-6-15(9-22)11-23(10-14,13-22)19(28)12-29-20-7-18(26-27-20)21-24-16-4-2-3-5-17(16)25-21/h2-5,7,14-15,26-27H,6,8-13H2,1H3