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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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