N-(1,3-benzodioxol-5-ylmethyl)-5-[(3-ethanoylphenoxy)methyl]-1H-pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-[(3-ethanoylphenoxy)methyl]-1H-pyrazole-3-carboxamide Openeye Name: 5-[(3-acetylphenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1H-pyrazole-3-carboxamide CAS Name: 5-[(3-acetylphenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1H-pyrazole-3-carboxamide IUPAC Name: 5-[(3-acetylphenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1H-pyrazole-3-carboxamide Traditional Name: 5-[(3-acetylphenoxy)methyl]-N-piperonyl-1H-pyrazole-3-carboxamide Formula: C21H19N3O5 MolecularWeight: 393.39266

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC2=CC(=NN2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC2=CC(=NN2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O5/c1-13(25)15-3-2-4-17(8-15)27-11-16-9-18(24-23-16)21(26)22-10-14-5-6-19-20(7-14)29-12-28-19/h2-9H,10-12H2,1H3,(H,22,26)(H,23,24)