1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]heptan-1-one

Systemtic Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]heptan-1-one Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2/c1-4-7-9-10-11-19(25)24-20(18-14-12-17(6-3)13-15-18)22-21(23-24)26-16-8-5-2/h12-15H,4-11,16H2,1-3H3