1-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]pentan-1-one

Systemtic Name: 1-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]pentan-1-one Openeye Name: 1-[3-isobutoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]pentan-1-one CAS Name: 1-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-pentanone IUPAC Name: 1-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]pentan-1-one Traditional Name: 1-[3-isobutoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]pentan-1-one Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H25N3O3/c1-5-6-7-16(22)21-17(14-8-10-15(23-4)11-9-14)19-18(20-21)24-12-13(2)3/h8-11,13H,5-7,12H2,1-4H3