(E)-4-butoxy-1-(2-chlorophenyl)-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one

Systemtic Name: (E)-4-butoxy-1-(2-chlorophenyl)-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-4-butoxy-1-(2-chlorophenyl)-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-4-butoxy-1-(2-chlorophenyl)-4-methyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-4-butoxy-1-(2-chlorophenyl)-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-4-butoxy-1-(2-chlorophenyl)-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C18H22ClN3O2 MolecularWeight: 347.83918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)(C)C(=O)C(=CC1=CC=CC=C1Cl)N2C=NC=N2

Isomeric SMILES

CCCCOC(C)(C)C(=O)/C(=C\C1=CC=CC=C1Cl)/N2C=NC=N2

InChI

InChI=1S/C18H22ClN3O2/c1-4-5-10-24-18(2,3)17(23)16(22-13-20-12-21-22)11-14-8-6-7-9-15(14)19/h6-9,11-13H,4-5,10H2,1-3H3/b16-11+