E2X
Summary
| Name: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine |
| Formula: | C19 H23 Cl N4 O |
| Formal charge: | 0 |
| Formula weight: | 358.865 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazin-8-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H23ClN4O/c20-14-9-17-18(10-15(14)21)25-19-12-23-7-5-16(19)24(17)8-2-4-13-3-1-6-22-11-13/h5,7,9-10,12-13,22H,1-4,6,8,11,21H2/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | BAZHJGICWCQPTH-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1cc2Oc3cnccc3N(CCC[C@@H]4CCCNC4)c2cc1Cl |
| SMILES | CACTVS | 3.385 | Nc1cc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cncc2c1N(c3cc(c(cc3O2)N)Cl)CCC[C@@H]4CCCNC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cncc2c1N(c3cc(c(cc3O2)N)Cl)CCCC4CCCNC4 |
