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

Systemtic Name: (1S,2R,3aR)-2-(2-chlorophenyl)-1-ethanoyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile Openeye Name: (1S,2R,3aR)-1-acetyl-2-(2-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile CAS Name: (1S,2R,3aR)-1-acetyl-2-(2-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile IUPAC Name: (1S,2R,3aR)-1-acetyl-2-(2-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile Traditional Name: (1S,2R,3aR)-1-acetyl-2-(2-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile Formula: C22H16ClN3O MolecularWeight: 373.83494

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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=C4Cl

Isomeric SMILES

CC(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H16ClN3O/c1-14(27)21-20(16-7-3-4-8-17(16)23)22(12-24,13-25)19-11-10-15-6-2-5-9-18(15)26(19)21/h2-11,19-21H,1H3/t19-,20-,21-/m1/s1