BL7
Summary
| Name: | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
| Synonyms: | (S-3a)-3a-hydroxy-1-phenyl-1,2,3,3A-tetrahydro-4H-pyrrol[2,3-B]quinolin-4-one |
| Formula: | C17 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 278.305 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
| OpenEye OEToolkits | 1.5.0 | (3aS)-3a-hydroxy-1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c4c(N=C3N(c1ccccc1)CCC23O)cccc4 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@]12CCN(c3ccccc3)C1=Nc4ccccc4C2=O |
| SMILES | CACTVS | 3.341 | O[C]12CCN(c3ccccc3)C1=Nc4ccccc4C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)N2CC[C@@]3(C2=Nc4ccccc4C3=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)N2CCC3(C2=Nc4ccccc4C3=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | DOMYOVZXZIZTRD-QGZVFWFLSA-N |
