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

Systemtic Name: 2-(1H-benzimidazol-2-yl)-4-butyl-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-4-butyl-5-methyl-1H-pyrazol-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-4-butyl-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(1H-benzimidazol-2-yl)-4-butyl-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-4-butyl-5-methyl-3-pyrazolin-3-one Formula: C15H18N4O MolecularWeight: 270.32962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NN(C1=O)C2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCCCC1=C(NN(C1=O)C2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C15H18N4O/c1-3-4-7-11-10(2)18-19(14(11)20)15-16-12-8-5-6-9-13(12)17-15/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,16,17)