1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]octan-1-one

Systemtic Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]octan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]octan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-octanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]octan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]octan-1-one Formula: C20H28ClN3O2 MolecularWeight: 377.90822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCCCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H28ClN3O2/c1-4-5-6-7-8-12-18(25)24-19(16-10-9-11-17(21)13-16)22-20(23-24)26-14-15(2)3/h9-11,13,15H,4-8,12,14H2,1-3H3