7QW
Summary
| Name: | 6-[3-[[(3~{R})-3-azanylpyrrolidin-1-yl]methyl]phenyl]-4~{H}-isoquinolin-1-one |
| Formula: | C20 H21 N3 O |
| Formal charge: | 0 |
| Formula weight: | 319.4 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[3-[(3-azanylpyrrolidin-1-yl)methyl]phenyl]isoquinolin-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H21N3O/c21-18-7-9-23(13-18)12-14-2-1-3-15(10-14)16-4-5-19-17(11-16)6-8-22-20(19)24/h1-6,8,10-11,18H,7,9,12-13,21H2,(H,22,24)/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | KJCKVXKGXLPESD-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H]1CCN(C1)Cc2cccc(c2)c3ccc4c(O)nccc4c3 |
| SMILES | CACTVS | 3.385 | N[CH]1CCN(C1)Cc2cccc(c2)c3ccc4c(O)nccc4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)c2ccc3c(c2)ccnc3O)CN4CCC(C4)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)c2ccc3c(c2)ccnc3O)CN4CCC(C4)N |
