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

Systemtic Name: 7-[2-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide Openeye Name: 7-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide CAS Name: 7-[2-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]ethyl]-N-methyl-3-isoquinolinecarboxamide IUPAC Name: 7-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methylisoquinoline-3-carboxamide Traditional Name: 7-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-N-methyl-isoquinoline-3-carboxamide Formula: C21H18ClF3N4O2 MolecularWeight: 450.84143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClF3N4O2/c1-26-19(30)18-9-13-3-2-12(8-14(13)11-28-18)6-7-27-20(31)29-15-4-5-17(22)16(10-15)21(23,24)25/h2-5,8-11H,6-7H2,1H3,(H,26,30)(H2,27,29,31)