7-chloranyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: 7-chloranyl-N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-7-chloro-1,3-benzodioxole-5-carboxamide CAS Name: 7-chloro-N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-7-chloro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-7-chloro-piperonylamide Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

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