1-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]nonan-1-one

Systemtic Name: 1-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]nonan-1-one Openeye Name: 1-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]nonan-1-one CAS Name: 1-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-nonanone IUPAC Name: 1-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]nonan-1-one Traditional Name: 1-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]nonan-1-one Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1C(=NC(=N1)OCCOC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCC(=O)N1C(=NC(=N1)OCCOC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H31N3O4/c1-4-5-6-7-8-9-10-19(25)24-20(17-11-13-18(27-3)14-12-17)22-21(23-24)28-16-15-26-2/h11-14H,4-10,15-16H2,1-3H3