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

Systemtic Name: 1-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[3-isobutoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[5-(4-methoxyphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[3-isobutoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O3/c1-5-6-7-8-9-18(24)23-19(16-10-12-17(25-4)13-11-16)21-20(22-23)26-14-15(2)3/h10-13,15H,5-9,14H2,1-4H3