5-[[2-(ethylcarbamoylamino)pyridin-4-yl]methylamino]-1-methyl-N-[2,2,3,3-tetrakis(fluoranyl)-1,4-benzodioxin-6-yl]pyrazole-4-carboxamide

Systemtic Name: 5-[[2-(ethylcarbamoylamino)pyridin-4-yl]methylamino]-1-methyl-N-[2,2,3,3-tetrakis(fluoranyl)-1,4-benzodioxin-6-yl]pyrazole-4-carboxamide Openeye Name: 5-[[2-(ethylcarbamoylamino)-4-pyridyl]methylamino]-1-methyl-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide CAS Name: 5-[[2-(ethylcarbamoylamino)-4-pyridinyl]methylamino]-1-methyl-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)-4-pyrazolecarboxamide IUPAC Name: 5-[[2-(ethylcarbamoylamino)pyridin-4-yl]methylamino]-1-methyl-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide Traditional Name: 5-[[2-(ethylcarbamoylamino)-4-pyridyl]methylamino]-1-methyl-N-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide Formula: C22H21F4N7O4 MolecularWeight: 523.440253

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC=CC(=C1)CNC2=C(C=NN2C)C(=O)NC3=CC4=C(C=C3)OC(C(O4)(F)F)(F)F

Isomeric SMILES

CCNC(=O)NC1=NC=CC(=C1)CNC2=C(C=NN2C)C(=O)NC3=CC4=C(C=C3)OC(C(O4)(F)F)(F)F

InChI

InChI=1S/C22H21F4N7O4/c1-3-27-20(35)32-17-8-12(6-7-28-17)10-29-18-14(11-30-33(18)2)19(34)31-13-4-5-15-16(9-13)37-22(25,26)21(23,24)36-15/h4-9,11,29H,3,10H2,1-2H3,(H,31,34)(H2,27,28,32,35)