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

Systemtic Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-(3-methylbutyl)-1H-pyrazol-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-isopentyl-5-methyl-1H-pyrazol-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-(3-methylbutyl)-1H-pyrazol-3-one IUPAC Name: 2-(1H-benzimidazol-2-yl)-5-methyl-4-(3-methylbutyl)-1H-pyrazol-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-isoamyl-5-methyl-3-pyrazolin-3-one Formula: C16H20N4O MolecularWeight: 284.3562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)CCC(C)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)CCC(C)C

InChI

InChI=1S/C16H20N4O/c1-10(2)8-9-12-11(3)19-20(15(12)21)16-17-13-6-4-5-7-14(13)18-16/h4-7,10,19H,8-9H2,1-3H3,(H,17,18)