[2-(1H-benzimidazol-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] 3-methylbutanoate

Systemtic Name: [2-(1H-benzimidazol-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] 3-methylbutanoate Openeye Name: [2-(1H-benzimidazol-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] 3-methylbutanoate CAS Name: 3-methylbutanoic acid [2-(1H-benzimidazol-2-yl)-4-ethyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [2-(1H-benzimidazol-2-yl)-4-ethyl-5-methylpyrazol-3-yl] 3-methylbutanoate Traditional Name: 3-methylbutyric acid [2-(1H-benzimidazol-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] ester Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C)C2=NC3=CC=CC=C3N2)OC(=O)CC(C)C

Isomeric SMILES

CCC1=C(N(N=C1C)C2=NC3=CC=CC=C3N2)OC(=O)CC(C)C

InChI

InChI=1S/C18H22N4O2/c1-5-13-12(4)21-22(17(13)24-16(23)10-11(2)3)18-19-14-8-6-7-9-15(14)20-18/h6-9,11H,5,10H2,1-4H3,(H,19,20)