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

Systemtic Name: 1-(1-adamantyl)-2-[5-(3-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanone Openeye Name: 1-(1-adamantyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone CAS Name: 1-(1-adamantyl)-2-[5-(3-methoxyphenyl)-2-tetrazolyl]ethanone IUPAC Name: 1-(1-adamantyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone Traditional Name: 1-(1-adamantyl)-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone Formula: C20H24N4O2 MolecularWeight: 352.43016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(N=N2)CC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(N=N2)CC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H24N4O2/c1-26-17-4-2-3-16(8-17)19-21-23-24(22-19)12-18(25)20-9-13-5-14(10-20)7-15(6-13)11-20/h2-4,8,13-15H,5-7,9-12H2,1H3