(2S,3R,10bR)-3-ethanoyl-2-(4-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile

Systemtic Name: (2S,3R,10bR)-3-ethanoyl-2-(4-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile Openeye Name: (2S,3R,10bR)-3-acetyl-2-(4-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile CAS Name: (2S,3R,10bR)-3-acetyl-2-(4-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile IUPAC Name: (2S,3R,10bR)-3-acetyl-2-(4-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile Traditional Name: (2S,3R,10bR)-3-acetyl-2-(4-fluorophenyl)-3,10b-dihydro-2H-pyrrol[2,1-a]isoquinoline-1,1-dicarbonitrile Formula: C22H16FN3O MolecularWeight: 357.380343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16FN3O/c1-14(27)20-19(16-6-8-17(23)9-7-16)22(12-24,13-25)21-18-5-3-2-4-15(18)10-11-26(20)21/h2-11,19-21H,1H3/t19-,20+,21-/m1/s1