FZB
Summary
| Name: | 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one |
| Formula: | C17 H22 N4 O |
| Formal charge: | 0 |
| Formula weight: | 298.383 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-methyl-8-[[(1~{R},5~{S})-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-1~{H}-1,7-naphthyridin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H22N4O/c1-10-7-11-5-6-18-16(15(11)20-17(10)22)19-12-8-13-3-4-14(9-12)21(13)2/h5-7,12-14H,3-4,8-9H2,1-2H3,(H,18,19)(H,20,22)/t12-,13-,14+ |
| InChIKey | InChI | 1.03 | HBGWEOSHQILMON-ZSOGYDGISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@@H]2CC[C@H]1C[C@@H](C2)Nc3nccc4C=C(C)C(=O)Nc34 |
| SMILES | CACTVS | 3.385 | CN1[CH]2CC[CH]1C[CH](C2)Nc3nccc4C=C(C)C(=O)Nc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1=Cc2ccnc(c2NC1=O)NC3C[C@H]4CC[C@@H](C3)N4C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1=Cc2ccnc(c2NC1=O)NC3CC4CCC(C3)N4C |
