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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-[[3-(trifluoromethyl)phenyl]carbonylamino]benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide Formula: C32H28F3N3O2 MolecularWeight: 543.57883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C32H28F3N3O2/c33-32(34,35)26-12-6-11-24(19-26)30(39)37-27-13-14-29(38-18-16-23-9-4-5-10-25(23)21-38)28(20-27)31(40)36-17-15-22-7-2-1-3-8-22/h1-14,19-20H,15-18,21H2,(H,36,40)(H,37,39)