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

Systemtic Name: 1-adamantyl-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]methanone Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31N3O3/c1-3-29-8-9-30-23-25-21(20-7-5-4-6-16(20)2)27(26-23)22(28)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-7,17-19H,3,8-15H2,1-2H3