7-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: 7-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide Openeye Name: 7-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide CAS Name: 7-[2-[[[2-methoxy-5-(trifluoromethyl)anilino]-oxomethyl]amino]ethyl]-N-methyl-3-isoquinolinecarboxamide IUPAC Name: 7-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methylisoquinoline-3-carboxamide Traditional Name: 7-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide Formula: C22H21F3N4O3 MolecularWeight: 446.42235

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NC=C2C=C(C=CC2=C1)CCNC(=O)NC3=C(C=CC(=C3)C(F)(F)F)OC

Isomeric SMILES

CNC(=O)C1=NC=C2C=C(C=CC2=C1)CCNC(=O)NC3=C(C=CC(=C3)C(F)(F)F)OC

InChI

InChI=1S/C22H21F3N4O3/c1-26-20(30)18-10-14-4-3-13(9-15(14)12-28-18)7-8-27-21(31)29-17-11-16(22(23,24)25)5-6-19(17)32-2/h3-6,9-12H,7-8H2,1-2H3,(H,26,30)(H2,27,29,31)