E2O
Summary
Name: | 7-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine |
Formula: | C19 H22 Cl N3 O |
Formal charge: | 0 |
Formula weight: | 343.85 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]benzoxazine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C19H22ClN3O/c20-15-5-6-18-17(11-15)23(16-7-9-22-13-19(16)24-18)10-2-4-14-3-1-8-21-12-14/h5-7,9,11,13-14,21H,1-4,8,10,12H2/t14-/m0/s1 |
InChIKey | InChI | 1.03 | AIRHAMAPWMWFAI-AWEZNQCLSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2Oc3cnccc3N(CCC[C@@H]4CCCNC4)c2c1 |
SMILES | CACTVS | 3.385 | Clc1ccc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)N(c3ccncc3O2)CCC[C@@H]4CCCNC4 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1Cl)N(c3ccncc3O2)CCCC4CCCNC4 |