2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[oxo-[2-(trifluoromethyl)anilino]methyl]amino]-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide Formula: C32H29F3N4O2 MolecularWeight: 558.59347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC4=CC=CC=C4C(F)(F)F)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC4=CC=CC=C4C(F)(F)F)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C32H29F3N4O2/c33-32(34,35)27-12-6-7-13-28(27)38-31(41)37-25-14-15-29(39-19-17-23-10-4-5-11-24(23)21-39)26(20-25)30(40)36-18-16-22-8-2-1-3-9-22/h1-15,20H,16-19,21H2,(H,36,40)(H2,37,38,41)