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

Systemtic Name: N-methyl-7-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide Openeye Name: N-methyl-7-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide CAS Name: N-methyl-7-[2-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-isoquinolinecarboxamide IUPAC Name: N-methyl-7-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide Traditional Name: N-methyl-7-[2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide Formula: C21H19F3N4O2 MolecularWeight: 416.39637

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N4O2/c1-25-19(29)18-11-14-3-2-13(10-15(14)12-27-18)8-9-26-20(30)28-17-6-4-16(5-7-17)21(22,23)24/h2-7,10-12H,8-9H2,1H3,(H,25,29)(H2,26,28,30)