2-(1H-benzimidazol-2-yl)-5-methyl-4-propyl-1H-pyrazol-3-one

Systemtic Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-propyl-1H-pyrazol-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-propyl-1H-pyrazol-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-propyl-1H-pyrazol-3-one IUPAC Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-propyl-1H-pyrazol-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-propyl-3-pyrazolin-3-one Formula: C14H16N4O MolecularWeight: 256.30304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NN(C1=O)C2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCCC1=C(NN(C1=O)C2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C14H16N4O/c1-3-6-10-9(2)17-18(13(10)19)14-15-11-7-4-5-8-12(11)16-14/h4-5,7-8,17H,3,6H2,1-2H3,(H,15,16)