AC1O79J7
(2R,3R,10bS)-3-(4-methoxybenzoyl)-2-pyridin-3-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: (10aS,8R,9R)-8-[(4-methoxyphenyl)carbonyl]-9-(3-pyridyl)-7,10a-dihydropyrrolid ino[2,1-a]isoquinoline-10,10-dicarbonitrile|(2R,3R,10bS)-3-(4-methoxybenzoyl)-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile|(2R,3R,10bS)-3-(4-methoxybenzoyl)-2-pyridin-3-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile|(2R,3R,10bS)-3-[(4-methoxyphenyl)carbonyl]-2-(pyridin-3-yl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
| Molecular Formula | C27H20N4O2 |
|---|---|
| Molecular Weight | 432.15863 g/mol |
| LogP | 4.50006 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.15863 |
| Monoisotopic Mass | 432.15863 |
| Heavy Atoms | 33 |
| Complexity | 1304.7225 |
Chemical Identifiers
| CAS Number | 294635-02-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C([C@H]3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=CN=CC=C5 |
Product Overview
AC1O79J7 (CAS 294635-02-2), with molecular formula C27H20N4O2 and molecular weight 432.15863 g/mol. IUPAC: (2R,3R,10bS)-3-(4-methoxybenzoyl)-2-pyridin-3-yl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.