D8P
Summary
| Name: | [(2S)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol |
| Formula: | C12 H19 N3 O |
| Formal charge: | 0 |
| Formula weight: | 221.299 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(2S)-1,9-dimethyl-1,2,3,4,5,6-hexahydropyrido[2,3-b][1,5]diazocin-2-yl]methanol |
| OpenEye OEToolkits | 2.0.6 | [(2~{S})-1,9-dimethyl-3,4,5,6-tetrahydro-2~{H}-pyrido[2,3-b][1,5]diazocin-2-yl]methanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21CNCCC(N(c1nc(cc2)C)C)CO |
| InChI | InChI | 1.03 | InChI=1S/C12H19N3O/c1-9-3-4-10-7-13-6-5-11(8-16)15(2)12(10)14-9/h3-4,11,13,16H,5-8H2,1-2H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | SQWOYWAMWYZLDY-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@H](CO)CCNCc2ccc(C)nc12 |
| SMILES | CACTVS | 3.385 | CN1[CH](CO)CCNCc2ccc(C)nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(n1)N([C@@H](CCNC2)CO)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc2c(n1)N(C(CCNC2)CO)C |
