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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloranyl-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-4-methylphenyl)-3,5-dimethyl-4-pyrazolyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[1-(3-chloro-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]acetamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)CC(=O)NC3=CC4=C(C=C3)OCO4)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)CC(=O)NC3=CC4=C(C=C3)OCO4)C)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-12-4-6-16(9-18(12)22)25-14(3)17(13(2)24-25)10-21(26)23-15-5-7-19-20(8-15)28-11-27-19/h4-9H,10-11H2,1-3H3,(H,23,26)