2-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]carbonylphenyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]carbonylphenyl]isoindole-1,3-dione Openeye Name: 2-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[3-[oxo-[(3S)-3-(trifluoromethyl)-1-piperidinyl]methyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]isoindoline-1,3-quinone Formula: C21H17F3N2O3 MolecularWeight: 402.36649

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C(F)(F)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)C(F)(F)F

InChI

InChI=1S/C21H17F3N2O3/c22-21(23,24)14-6-4-10-25(12-14)18(27)13-5-3-7-15(11-13)26-19(28)16-8-1-2-9-17(16)20(26)29/h1-3,5,7-9,11,14H,4,6,10,12H2/t14-/m0/s1