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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

ProgramVersionName
OpenEye OEToolkits2.0.77-chloranyl-5-[3-[(3~{S})-piperidin-3-yl]propyl]pyrido[3,4-b][1,4]benzoxazine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=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
InChIKeyInChI1.03AIRHAMAPWMWFAI-AWEZNQCLSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc2Oc3cnccc3N(CCC[C@@H]4CCCNC4)c2c1
SMILESCACTVS3.385Clc1ccc2Oc3cnccc3N(CCC[CH]4CCCNC4)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(cc1Cl)N(c3ccncc3O2)CCC[C@@H]4CCCNC4
SMILESOpenEye OEToolkits2.0.7c1cc2c(cc1Cl)N(c3ccncc3O2)CCCC4CCCNC4

217705

건을2024-03-27부터공개중

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