TII
Summary
| Name: | (5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane |
| Formula: | C16 H25 N3 O |
| Formal charge: | 0 |
| Formula weight: | 275.389 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R)-1-methyl-7-[5-(propan-2-yloxy)pyridin-3-yl]-1,7-diazaspiro[4.4]nonane |
| OpenEye OEToolkits | 1.9.2 | (5R)-1-methyl-7-(5-propan-2-yloxypyridin-3-yl)-1,7-diazaspiro[4.4]nonane |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN1CCCC12CN(CC2)c3cc(OC(C)C)cnc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H25N3O/c1-13(2)20-15-9-14(10-17-11-15)19-8-6-16(12-19)5-4-7-18(16)3/h9-11,13H,4-8,12H2,1-3H3/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | KVSRTRCOWRKRQB-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1cncc(c1)N2CC[C@]3(CCCN3C)C2 |
| SMILES | CACTVS | 3.385 | CC(C)Oc1cncc(c1)N2CC[C]3(CCCN3C)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(C)Oc1cc(cnc1)N2CC[C@@]3(C2)CCCN3C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C)Oc1cc(cnc1)N2CCC3(C2)CCCN3C |
