78J
Summary
| Name: | (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one |
| Formula: | C21 H30 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 370.489 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | 8-[[(3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H30N4O2/c1-14-11-16-7-10-23-20(19(16)25-21(14)26)24-17-8-9-22-12-18(17)27-13-15-5-3-2-4-6-15/h7,10-11,15,17-18,22H,2-6,8-9,12-13H2,1H3,(H,23,24)(H,25,26)/t17-,18-/m1/s1 |
| InChIKey | InChI | 1.03 | DQJOFVKRLCBKNO-QZTJIDSGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=Cc2ccnc(N[C@@H]3CCNC[C@H]3OCC4CCCCC4)c2NC1=O |
| SMILES | CACTVS | 3.385 | CC1=Cc2ccnc(N[CH]3CCNC[CH]3OCC4CCCCC4)c2NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=Cc2ccnc(c2NC1=O)N[C@@H]3CCNC[C@H]3OCC4CCCCC4 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=Cc2ccnc(c2NC1=O)NC3CCNCC3OCC4CCCCC4 |
