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

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

Systemtic Name:N-methyl-7-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide
Openeye Name:N-methyl-7-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide
CAS Name:N-methyl-7-[2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]ethyl]-3-isoquinolinecarboxamide
IUPAC Name:N-methyl-7-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]isoquinoline-3-carboxamide
Traditional Name:N-methyl-7-[2-[[3-(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=CC(=C3)C(F)(F)F


Isomeric SMILES

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


InChI

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


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