3-[[5-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-2-methyl-indol-1-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]-N-methyl-benzamide

Systemtic Name: 3-[[5-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-2-methyl-indol-1-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]-N-methyl-benzamide Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-N-methyl-3-[[2-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]indol-1-yl]methyl]benzamide CAS Name: 3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-1-indolyl]methyl]-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide IUPAC Name: 3-[[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylindol-1-yl]methyl]-N-[2-(1H-indol-3-yl)ethyl]-N-methylbenzamide Traditional Name: N-[2-(1H-indol-3-yl)ethyl]-N-methyl-3-[[2-methyl-5-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]indol-1-yl]methyl]benzamide Formula: C31H27F6N3O2 MolecularWeight: 587.555399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1CC3=CC=CC(=C3)C(=O)N(C)CCC4=CNC5=CC=CC=C54)C=CC(=C2)C(C(F)(F)F)(C(F)(F)F)O

Isomeric SMILES

CC1=CC2=C(N1CC3=CC=CC(=C3)C(=O)N(C)CCC4=CNC5=CC=CC=C54)C=CC(=C2)C(C(F)(F)F)(C(F)(F)F)O

InChI

InChI=1S/C31H27F6N3O2/c1-19-14-23-16-24(29(42,30(32,33)34)31(35,36)37)10-11-27(23)40(19)18-20-6-5-7-21(15-20)28(41)39(2)13-12-22-17-38-26-9-4-3-8-25(22)26/h3-11,14-17,38,42H,12-13,18H2,1-2H3