N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-chlorophenyl)-3,5-dimethyl-4-pyrazolyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide Traditional Name: 2-[1-(4-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]-N-piperonyl-acetamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)Cl)C)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20ClN3O3/c1-13-18(14(2)25(24-13)17-6-4-16(22)5-7-17)10-21(26)23-11-15-3-8-19-20(9-15)28-12-27-19/h3-9H,10-12H2,1-2H3,(H,23,26)