[1-(isoquinolin-3-ylcarbonylamino)indol-2-yl]carbonyl 2-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate

Systemtic Name: [1-(isoquinolin-3-ylcarbonylamino)indol-2-yl]carbonyl 2-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate Openeye Name: [1-(isoquinoline-3-carbonylamino)indole-2-carbonyl] 2-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate CAS Name: 2-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylic acid [[1-[[3-isoquinolinyl(oxo)methyl]amino]-2-indolyl]-oxomethyl] ester IUPAC Name: [1-(isoquinoline-3-carbonylamino)indole-2-carbonyl] 2-(trifluoromethyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-1-carboxylate Traditional Name: 2-(trifluoromethyl)-3,6,7,8-tetrahydropyrrol[3,2-e]indole-1-carboxylic acid [1-(isoquinoline-3-carbonylamino)indole-2-carbonyl] ester Formula: C31H20F3N5O4 MolecularWeight: 583.51681

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C1C3=C(C=C2)NC(=C3C(=O)OC(=O)C4=CC5=CC=CC=C5N4NC(=O)C6=CC7=CC=CC=C7C=N6)C(F)(F)F

Isomeric SMILES

C1CNC2=C1C3=C(C=C2)NC(=C3C(=O)OC(=O)C4=CC5=CC=CC=C5N4NC(=O)C6=CC7=CC=CC=C7C=N6)C(F)(F)F

InChI

InChI=1S/C31H20F3N5O4/c32-31(33,34)27-26(25-19-11-12-35-20(19)9-10-21(25)37-27)30(42)43-29(41)24-14-17-6-3-4-8-23(17)39(24)38-28(40)22-13-16-5-1-2-7-18(16)15-36-22/h1-10,13-15,35,37H,11-12H2,(H,38,40)