1-adamantyl-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]methanone Formula: C23H29N3O4 MolecularWeight: 411.49406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NN(C(=N1)C2=CC=C(C=C2)OC)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCOC1=NN(C(=N1)C2=CC=C(C=C2)OC)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O4/c1-28-7-8-30-22-24-20(18-3-5-19(29-2)6-4-18)26(25-22)21(27)23-12-15-9-16(13-23)11-17(10-15)14-23/h3-6,15-17H,7-14H2,1-2H3