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

Systemtic Name: 1-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[3-isopropoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[5-(3-methoxyphenyl)-3-propan-2-yloxy-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[3-isopropoxy-5-(3-methoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one Formula: C19H27N3O3 MolecularWeight: 345.43598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3/c1-5-6-7-8-12-17(23)22-18(20-19(21-22)25-14(2)3)15-10-9-11-16(13-15)24-4/h9-11,13-14H,5-8,12H2,1-4H3