(1R,2R,3aR)-1-(phenylcarbonyl)-2-[2-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

Systemtic Name: (1R,2R,3aR)-1-(phenylcarbonyl)-2-[2-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile Openeye Name: (1R,2R,3aR)-1-benzoyl-2-[2-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile CAS Name: (1R,2R,3aR)-1-benzoyl-2-[2-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile IUPAC Name: (1R,2R,3aR)-1-benzoyl-2-[2-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile Traditional Name: (1R,2R,3aR)-1-benzoyl-2-[2-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile Formula: C28H18F3N3O MolecularWeight: 469.45723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2C(C(C3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C28H18F3N3O/c29-28(30,31)21-12-6-5-11-20(21)24-25(26(35)19-9-2-1-3-10-19)34-22-13-7-4-8-18(22)14-15-23(34)27(24,16-32)17-33/h1-15,23-25H/t23-,24+,25-/m1/s1