1-[4-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: 1-[4-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-isoquinoline-3-carboxamide Openeye Name: 1-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-isoquinoline-3-carboxamide CAS Name: 1-[4-[[[4-bromo-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenoxy]-N-methyl-3-isoquinolinecarboxamide IUPAC Name: 1-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylisoquinoline-3-carboxamide Traditional Name: 1-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-isoquinoline-3-carboxamide Formula: C25H18BrF3N4O3 MolecularWeight: 559.33463

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC2=CC=CC=C2C(=N1)OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

CNC(=O)C1=CC2=CC=CC=C2C(=N1)OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C25H18BrF3N4O3/c1-30-22(34)21-12-14-4-2-3-5-18(14)23(33-21)36-17-9-6-15(7-10-17)31-24(35)32-16-8-11-20(26)19(13-16)25(27,28)29/h2-13H,1H3,(H,30,34)(H2,31,32,35)