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

Systemtic Name: 1-adamantyl-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone Formula: C25H33N3O3 MolecularWeight: 423.54782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)OCCOCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)OCCOCC

InChI

InChI=1S/C25H33N3O3/c1-3-17-5-7-21(8-6-17)22-26-24(31-10-9-30-4-2)27-28(22)23(29)25-14-18-11-19(15-25)13-20(12-18)16-25/h5-8,18-20H,3-4,9-16H2,1-2H3