2-ethyl-1-[5-(4-ethylphenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]hexan-1-one

Systemtic Name: 2-ethyl-1-[5-(4-ethylphenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 2-ethyl-1-[5-(4-ethylphenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 2-ethyl-1-[5-(4-ethylphenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 2-ethyl-1-[5-(4-ethylphenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 2-ethyl-1-[5-(4-ethylphenyl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]hexan-1-one Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N1C(=NC(=N1)OCCOC)C2=CC=C(C=C2)CC

Isomeric SMILES

CCCCC(CC)C(=O)N1C(=NC(=N1)OCCOC)C2=CC=C(C=C2)CC

InChI

InChI=1S/C21H31N3O3/c1-5-8-9-17(7-3)20(25)24-19(18-12-10-16(6-2)11-13-18)22-21(23-24)27-15-14-26-4/h10-13,17H,5-9,14-15H2,1-4H3