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

Systemtic Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]heptan-1-one Formula: C19H26ClN3O2 MolecularWeight: 363.88164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN3O2/c1-4-5-6-7-11-17(24)23-18(15-9-8-10-16(20)12-15)21-19(22-23)25-13-14(2)3/h8-10,12,14H,4-7,11,13H2,1-3H3