N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]-4-pyrazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide Formula: C21H18F3N3O3 MolecularWeight: 417.38113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H18F3N3O3/c1-13-17(11-26-27(13)15-6-4-5-14(9-15)21(22,23)24)20(28)25-10-16-12-29-18-7-2-3-8-19(18)30-16/h2-9,11,16H,10,12H2,1H3,(H,25,28)