N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methylphenyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C21H18F3N3O3 MolecularWeight: 417.38113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC4=C(C=C3)OCCO4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=CC4=C(C=C3)OCCO4)C(F)(F)F

InChI

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