2-[3-(3-chloranylpyridin-4-yl)-5-oxidanylidene-4-(4-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]-N-cyclobutyl-ethanamide

Systemtic Name: 2-[3-(3-chloranylpyridin-4-yl)-5-oxidanylidene-4-(4-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]-N-cyclobutyl-ethanamide Openeye Name: 2-[3-(3-chloro-4-pyridyl)-4-(4-isopropoxyphenyl)-5-oxo-1,2,4-triazol-1-yl]-N-cyclobutyl-acetamide CAS Name: 2-[3-(3-chloro-4-pyridinyl)-5-oxo-4-(4-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]-N-cyclobutylacetamide IUPAC Name: 2-[3-(3-chloropyridin-4-yl)-5-oxo-4-(4-propan-2-yloxyphenyl)-1,2,4-triazol-1-yl]-N-cyclobutylacetamide Traditional Name: 2-[3-(3-chloro-4-pyridyl)-4-(4-isopropoxyphenyl)-5-keto-1,2,4-triazol-1-yl]-N-cyclobutyl-acetamide Formula: C22H24ClN5O3 MolecularWeight: 441.91066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)N2C(=NN(C2=O)CC(=O)NC3CCC3)C4=C(C=NC=C4)Cl

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)N2C(=NN(C2=O)CC(=O)NC3CCC3)C4=C(C=NC=C4)Cl

InChI

InChI=1S/C22H24ClN5O3/c1-14(2)31-17-8-6-16(7-9-17)28-21(18-10-11-24-12-19(18)23)26-27(22(28)30)13-20(29)25-15-4-3-5-15/h6-12,14-15H,3-5,13H2,1-2H3,(H,25,29)