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

Systemtic Name: 1-adamantyl-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[3-(2-methoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[3-(2-methoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[3-(2-methoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]methanone Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)OCCOC

Isomeric SMILES

CC1=CC=CC=C1C2=NC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)OCCOC

InChI

InChI=1S/C23H29N3O3/c1-15-5-3-4-6-19(15)20-24-22(29-8-7-28-2)25-26(20)21(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h3-6,16-18H,7-14H2,1-2H3