1-(1-adamantyl)-2-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-[5-(4-isopropylphenyl)tetrazol-2-yl]ethanone CAS Name: 1-(1-adamantyl)-2-[5-(4-propan-2-ylphenyl)-2-tetrazolyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone Traditional Name: 1-(1-adamantyl)-2-(5-p-cumenyltetrazol-2-yl)ethanone Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28N4O/c1-14(2)18-3-5-19(6-4-18)21-23-25-26(24-21)13-20(27)22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,14-17H,7-13H2,1-2H3