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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-chloranyl-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-chloro-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-chloro-4-methylphenyl)-3,5-dimethyl-4-pyrazolyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide Traditional Name: 2-[1-(3-chloro-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]-N-piperonyl-acetamide Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)CC(=O)NCC3=CC4=C(C=C3)OCO4)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)CC(=O)NCC3=CC4=C(C=C3)OCO4)C)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-13-4-6-17(9-19(13)23)26-15(3)18(14(2)25-26)10-22(27)24-11-16-5-7-20-21(8-16)29-12-28-20/h4-9H,10-12H2,1-3H3,(H,24,27)