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

Systemtic Name: 7-azanyl-4-[4-[[4-bromanyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-isoquinoline-1-carboxamide Openeye Name: 7-amino-4-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-isoquinoline-1-carboxamide CAS Name: 7-amino-4-[4-[[[4-bromo-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenoxy]-N-methyl-1-isoquinolinecarboxamide IUPAC Name: 7-amino-4-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylisoquinoline-1-carboxamide Traditional Name: 7-amino-4-[4-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methyl-isoquinoline-1-carboxamide Formula: C25H19BrF3N5O3 MolecularWeight: 574.34927

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NC=C(C2=C1C=C(C=C2)N)OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

CNC(=O)C1=NC=C(C2=C1C=C(C=C2)N)OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C25H19BrF3N5O3/c1-31-23(35)22-18-10-13(30)2-8-17(18)21(12-32-22)37-16-6-3-14(4-7-16)33-24(36)34-15-5-9-20(26)19(11-15)25(27,28)29/h2-12H,30H2,1H3,(H,31,35)(H2,33,34,36)