N-[1-(1H-indol-3-yl)-2-methyl-3-oxidanyl-propan-2-yl]-5-(2-isoquinolin-4-ylethynyl)-2-(trifluoromethyloxy)benzamide

Systemtic Name: N-[1-(1H-indol-3-yl)-2-methyl-3-oxidanyl-propan-2-yl]-5-(2-isoquinolin-4-ylethynyl)-2-(trifluoromethyloxy)benzamide Openeye Name: N-[1-(hydroxymethyl)-2-(1H-indol-3-yl)-1-methyl-ethyl]-5-[2-(4-isoquinolyl)ethynyl]-2-(trifluoromethoxy)benzamide CAS Name: N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-5-[2-(4-isoquinolinyl)ethynyl]-2-(trifluoromethoxy)benzamide IUPAC Name: N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-5-(2-isoquinolin-4-ylethynyl)-2-(trifluoromethoxy)benzamide Traditional Name: N-[2-hydroxy-1-(1H-indol-3-ylmethyl)-1-methyl-ethyl]-5-[2-(4-isoquinolyl)ethynyl]-2-(trifluoromethoxy)benzamide Formula: C31H24F3N3O3 MolecularWeight: 543.53577

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(CO)NC(=O)C3=C(C=CC(=C3)C#CC4=CN=CC5=CC=CC=C54)OC(F)(F)F

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(CO)NC(=O)C3=C(C=CC(=C3)C#CC4=CN=CC5=CC=CC=C54)OC(F)(F)F

InChI

InChI=1S/C31H24F3N3O3/c1-30(19-38,15-23-18-36-27-9-5-4-8-25(23)27)37-29(39)26-14-20(11-13-28(26)40-31(32,33)34)10-12-22-17-35-16-21-6-2-3-7-24(21)22/h2-9,11,13-14,16-18,36,38H,15,19H2,1H3,(H,37,39)