1-(4-methylpyridin-2-yl)-3-[3-(pyrazol-1-ylmethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propane-1,3-dione

Systemtic Name: 1-(4-methylpyridin-2-yl)-3-[3-(pyrazol-1-ylmethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propane-1,3-dione Openeye Name: 1-(4-methyl-2-pyridyl)-3-[3-(pyrazol-1-ylmethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propane-1,3-dione CAS Name: 1-(4-methyl-2-pyridinyl)-3-[3-(1-pyrazolylmethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propane-1,3-dione IUPAC Name: 1-(4-methylpyridin-2-yl)-3-[3-(pyrazol-1-ylmethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propane-1,3-dione Traditional Name: 1-(4-methyl-2-pyridyl)-3-[3-(pyrazol-1-ylmethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propane-1,3-dione Formula: C22H20N6O2 MolecularWeight: 400.4332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CN3C=NC=N3)CN4C=CC=N4

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)CC(=O)C2=CC(=CC(=C2)CN3C=NC=N3)CN4C=CC=N4

InChI

InChI=1S/C22H20N6O2/c1-16-3-5-24-20(7-16)22(30)11-21(29)19-9-17(12-27-6-2-4-25-27)8-18(10-19)13-28-15-23-14-26-28/h2-10,14-15H,11-13H2,1H3