1-(2-adamantyl)-2-(benzotriazol-1-yl)ethanone

Systemtic Name: 1-(2-adamantyl)-2-(benzotriazol-1-yl)ethanone Openeye Name: 1-(2-adamantyl)-2-(benzotriazol-1-yl)ethanone CAS Name: 1-(2-adamantyl)-2-(1-benzotriazolyl)ethanone IUPAC Name: 1-(2-adamantyl)-2-(benzotriazol-1-yl)ethanone Traditional Name: 1-(2-adamantyl)-2-(benzotriazol-1-yl)ethanone Formula: C18H21N3O MolecularWeight: 295.37884

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C18H21N3O/c22-17(10-21-16-4-2-1-3-15(16)19-20-21)18-13-6-11-5-12(8-13)9-14(18)7-11/h1-4,11-14,18H,5-10H2