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

Systemtic Name: [2-(1H-benzimidazol-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-(1H-benzimidazol-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic 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] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(1H-benzimidazol-2-yl)-4-ethyl-5-methyl-pyrazol-3-yl] ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(N=C1C)C2=NC3=CC=CC=C3N2)OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=C(N(N=C1C)C2=NC3=CC=CC=C3N2)OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H18N4O4/c1-3-14-12(2)24-25(21-22-15-6-4-5-7-16(15)23-21)19(14)29-20(26)13-8-9-17-18(10-13)28-11-27-17/h4-10H,3,11H2,1-2H3,(H,22,23)