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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CCC(C)C)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1CCC(C)C)C2=NC3=CC=CC=C3N2

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/h4-7,10,12H,8-9H2,1-3H3,(H,17,18)/t12-/m1/s1