1-adamantyl-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)CC)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)CC)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

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