[2-(1H-benzimidazol-2-yl)-5-phenyl-pyrazol-3-yl] 3-methylbutanoate

Systemtic Name: [2-(1H-benzimidazol-2-yl)-5-phenyl-pyrazol-3-yl] 3-methylbutanoate Openeye Name: [2-(1H-benzimidazol-2-yl)-5-phenyl-pyrazol-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2-(1H-benzimidazol-2-yl)-5-phenyl-3-pyrazolyl] ester IUPAC Name: [2-(1H-benzimidazol-2-yl)-5-phenylpyrazol-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-(1H-benzimidazol-2-yl)-5-phenyl-pyrazol-3-yl] ester Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=CC(=NN1C2=NC3=CC=CC=C3N2)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC(=O)OC1=CC(=NN1C2=NC3=CC=CC=C3N2)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2/c1-14(2)12-20(26)27-19-13-18(15-8-4-3-5-9-15)24-25(19)21-22-16-10-6-7-11-17(16)23-21/h3-11,13-14H,12H2,1-2H3,(H,22,23)