BL6
Summary
| Name: | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
| Synonyms: | S-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
| Formula: | C18 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 292.332 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
| OpenEye OEToolkits | 1.5.0 | (3aS)-3a-hydroxy-7-methyl-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)cc(cc4)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccc2C(=O)[C@]3(O)CCN(c4ccccc4)C3=Nc2c1 |
| SMILES | CACTVS | 3.341 | Cc1ccc2C(=O)[C]3(O)CCN(c4ccccc4)C3=Nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccc2c(c1)N=C3[C@](C2=O)(CCN3c4ccccc4)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccc2c(c1)N=C3C(C2=O)(CCN3c4ccccc4)O |
| InChI | InChI | 1.03 | InChI=1S/C18H16N2O2/c1-12-7-8-14-15(11-12)19-17-18(22,16(14)21)9-10-20(17)13-5-3-2-4-6-13/h2-8,11,22H,9-10H2,1H3/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | KAJFGRLMKVNMLH-GOSISDBHSA-N |
