1-adamantyl-[5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[5-(4-tert-butylphenyl)-3-isopropoxy-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[5-(4-tert-butylphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[5-(4-tert-butylphenyl)-3-isopropoxy-1,2,4-triazol-1-yl]methanone Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)OC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H35N3O2/c1-16(2)31-24-27-22(20-6-8-21(9-7-20)25(3,4)5)29(28-24)23(30)26-13-17-10-18(14-26)12-19(11-17)15-26/h6-9,16-19H,10-15H2,1-5H3