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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-methoxy-3-pyridazinyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C19H16F3N5O4 MolecularWeight: 435.35665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NCC3COC4=CC=CC=C4O3)C(F)(F)F

Isomeric SMILES

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NCC3COC4=CC=CC=C4O3)C(F)(F)F

InChI

InChI=1S/C19H16F3N5O4/c1-29-16-7-6-15(25-26-16)27-17(19(20,21)22)12(9-24-27)18(28)23-8-11-10-30-13-4-2-3-5-14(13)31-11/h2-7,9,11H,8,10H2,1H3,(H,23,28)