3-[3-oxidanylidene-6-[[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione

Systemtic Name: 3-[3-oxidanylidene-6-[[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione Openeye Name: 3-[1-oxo-5-[[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]methyl]isoindolin-2-yl]piperidine-2,6-dione CAS Name: 3-[3-oxo-6-[[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione IUPAC Name: 3-[3-oxo-6-[[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione Traditional Name: 3-[1-keto-5-[[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]methyl]isoindolin-2-yl]piperidine-2,6-quinone Formula: C22H18F3N5O3 MolecularWeight: 457.40523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)CNC4=NC5=C(N4)C=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)CNC4=NC5=C(N4)C=C(C=C5)C(F)(F)F

InChI

InChI=1S/C22H18F3N5O3/c23-22(24,25)13-2-4-15-16(8-13)28-21(27-15)26-9-11-1-3-14-12(7-11)10-30(20(14)33)17-5-6-18(31)29-19(17)32/h1-4,7-8,17H,5-6,9-10H2,(H2,26,27,28)(H,29,31,32)