(2S,3R,10bS)-2-[2,3-bis(fluoranyl)phenyl]-3-ethanoyl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile

Systemtic Name: (2S,3R,10bS)-2-[2,3-bis(fluoranyl)phenyl]-3-ethanoyl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile Openeye Name: (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile CAS Name: (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile IUPAC Name: (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile Traditional Name: (2S,3R,10bS)-3-acetyl-2-(2,3-difluorophenyl)-3,10b-dihydro-2H-pyrrol[2,1-a]isoquinoline-1,1-dicarbonitrile Formula: C22H15F2N3O MolecularWeight: 375.370806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(C2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=C(C(=CC=C4)F)F

Isomeric SMILES

CC(=O)[C@H]1[C@@H](C([C@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=C(C(=CC=C4)F)F

InChI

InChI=1S/C22H15F2N3O/c1-13(28)20-18(16-7-4-8-17(23)19(16)24)22(11-25,12-26)21-15-6-3-2-5-14(15)9-10-27(20)21/h2-10,18,20-21H,1H3/t18-,20-,21-/m0/s1