1-(6-methoxypyridazin-3-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(6-methoxypyridazin-3-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-[4-(allylcarbamoylamino)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(6-methoxy-3-pyridazinyl)-N-[4-[[oxo-(prop-2-enylamino)methyl]amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(6-methoxypyridazin-3-yl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-[4-(allylcarbamoylamino)phenyl]-1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C20H18F3N7O3 MolecularWeight: 461.39723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C)C(F)(F)F

Isomeric SMILES

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)NC3=CC=C(C=C3)NC(=O)NCC=C)C(F)(F)F

InChI

InChI=1S/C20H18F3N7O3/c1-3-10-24-19(32)27-13-6-4-12(5-7-13)26-18(31)14-11-25-30(17(14)20(21,22)23)15-8-9-16(33-2)29-28-15/h3-9,11H,1,10H2,2H3,(H,26,31)(H2,24,27,32)