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

Systemtic Name: 1-adamantyl-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H33N3O2/c1-5-30-23-26-21(19-6-8-20(9-7-19)24(2,3)4)28(27-23)22(29)25-13-16-10-17(14-25)12-18(11-16)15-25/h6-9,16-18H,5,10-15H2,1-4H3