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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3/c1-12(2)10-16(22)21-17(14-6-8-15(23-5)9-7-14)19-18(20-21)24-11-13(3)4/h6-9,12-13H,10-11H2,1-5H3