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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(NN(C1=O)C2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCCCCC1=C(NN(C1=O)C2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C16H20N4O/c1-3-4-5-8-12-11(2)19-20(15(12)21)16-17-13-9-6-7-10-14(13)18-16/h6-7,9-10,19H,3-5,8H2,1-2H3,(H,17,18)