(1S,2S,3aR)-1-ethanoyl-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile

Systemtic Name: (1S,2S,3aR)-1-ethanoyl-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile Openeye Name: (1S,2S,3aR)-1-acetyl-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile CAS Name: (1S,2S,3aR)-1-acetyl-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile IUPAC Name: (1S,2S,3aR)-1-acetyl-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile Traditional Name: (1S,2S,3aR)-1-acetyl-2-phenyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile Formula: C22H17N3O MolecularWeight: 339.38988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(C2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=CC=C4

Isomeric SMILES

CC(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O/c1-15(26)21-20(17-8-3-2-4-9-17)22(13-23,14-24)19-12-11-16-7-5-6-10-18(16)25(19)21/h2-12,19-21H,1H3/t19-,20-,21-/m1/s1