tert-butyl (1S,2S,3aR)-3,3-dicyano-2-pyridin-3-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate

Systemtic Name: tert-butyl (1S,2S,3aR)-3,3-dicyano-2-pyridin-3-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate Openeye Name: tert-butyl (1S,2S,3aR)-3,3-dicyano-2-(3-pyridyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate CAS Name: (1S,2S,3aR)-3,3-dicyano-2-(3-pyridinyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,2S,3aR)-3,3-dicyano-2-pyridin-3-yl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylate Traditional Name: (1S,2S,3aR)-3,3-dicyano-2-(3-pyridyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-1-carboxylic acid tert-butyl ester Formula: C24H22N4O2 MolecularWeight: 398.45708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O2/c1-23(2,3)30-22(29)21-20(17-8-6-12-27-13-17)24(14-25,15-26)19-11-10-16-7-4-5-9-18(16)28(19)21/h4-13,19-21H,1-3H3/t19-,20-,21+/m1/s1