5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-3-pyrazolecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yl)-1-ethyl-N-[3-(trifluoromethyl)benzyl]pyrazole-3-carboxamide Formula: C21H18F3N3O3 MolecularWeight: 417.38113

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C(=CC(=N1)C(=O)NCC2=CC(=CC=C2)C(F)(F)F)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18F3N3O3/c1-2-27-17(14-6-7-18-19(9-14)30-12-29-18)10-16(26-27)20(28)25-11-13-4-3-5-15(8-13)21(22,23)24/h3-10H,2,11-12H2,1H3,(H,25,28)