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Summary

Name:ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate
Formula:C16 H22 N6 O3
Formal charge:0
Molecular weight:346.384 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6ethyl 2-[[(4-aminophenyl)methyl-[(1-methyl-1,2,3-triazol-4-yl)methyl]carbamoyl]amino]ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H22N6O3/c1-3-25-15(23)8-18-16(24)22(11-14-10-21(2)20-19-14)9-12-4-6-13(17)7-5-12/h4-7,10H,3,8-9,11,17H2,1-2H3,(H,18,24)
InChIKeyInChI1.03GPGRCPHGBRLBEI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2cn(C)nn2
SMILESCACTVS3.385CCOC(=O)CNC(=O)N(Cc1ccc(N)cc1)Cc2cn(C)nn2
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C
SMILESOpenEye OEToolkits2.0.6CCOC(=O)CNC(=O)N(Cc1ccc(cc1)N)Cc2cn(nn2)C