N-isoquinolin-6-yl-3-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide

Systemtic Name: N-isoquinolin-6-yl-3-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide Openeye Name: N-(6-isoquinolyl)-3-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide CAS Name: N-(6-isoquinolinyl)-3-[4-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]phenyl]propanamide IUPAC Name: N-isoquinolin-6-yl-3-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propanamide Traditional Name: N-(6-isoquinolyl)-3-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]propionamide Formula: C26H21F3N4O2 MolecularWeight: 478.46575

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)CCC(=O)NC3=CC4=C(C=C3)C=NC=C4)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)CCC(=O)NC3=CC4=C(C=C3)C=NC=C4)C(F)(F)F

InChI

InChI=1S/C26H21F3N4O2/c27-26(28,29)20-2-1-3-22(15-20)33-25(35)32-21-8-4-17(5-9-21)6-11-24(34)31-23-10-7-19-16-30-13-12-18(19)14-23/h1-5,7-10,12-16H,6,11H2,(H,31,34)(H2,32,33,35)