7-[2-[[4-chloranyl-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: 7-[2-[[4-chloranyl-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide Openeye Name: 7-[2-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide CAS Name: 7-[2-[[[4-chloro-2-methoxy-5-(trifluoromethyl)anilino]-oxomethyl]amino]ethyl]-N-methyl-3-isoquinolinecarboxamide IUPAC Name: 7-[2-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methylisoquinoline-3-carboxamide Traditional Name: 7-[2-[[4-chloro-2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide Formula: C22H20ClF3N4O3 MolecularWeight: 480.86741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClF3N4O3/c1-27-20(31)18-8-13-4-3-12(7-14(13)11-29-18)5-6-28-21(32)30-17-9-15(22(24,25)26)16(23)10-19(17)33-2/h3-4,7-11H,5-6H2,1-2H3,(H,27,31)(H2,28,30,32)