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

Systemtic Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]pentan-1-one Openeye Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]pentan-1-one CAS Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-1-pentanone IUPAC Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]pentan-1-one Traditional Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]pentan-1-one Formula: C19H27N3O2 MolecularWeight: 329.43658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2/c1-4-7-9-17(23)22-18(16-12-10-15(6-3)11-13-16)20-19(21-22)24-14-8-5-2/h10-13H,4-9,14H2,1-3H3