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E2R

Summary
Name:4-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine
Formula:C19 H21 Cl N2 O
Formal charge:0
Formula weight:328.836 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-[(2-chloranylphenoxazin-10-yl)methyl]cyclohexan-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H21ClN2O/c20-14-7-10-19-17(11-14)22(12-13-5-8-15(21)9-6-13)16-3-1-2-4-18(16)23-19/h1-4,7,10-11,13,15H,5-6,8-9,12,21H2/t13-,15-
InChIKeyInChI1.03MPTVFYKUPILTGI-CTYIDZIISA-N
SMILES_CANONICALCACTVS3.385N[C@@H]1CC[C@H](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24
SMILESCACTVS3.385N[CH]1CC[CH](CC1)CN2c3ccccc3Oc4ccc(Cl)cc24
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)N(c3cc(ccc3O2)Cl)CC4CCC(CC4)N

217705

건을2024-03-27부터공개중

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