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T0W

Summary
Name:2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide
Synonyms:2-(1H-1,2,3-benzotriazol-1-yl)-N-ethyl-N-[(furan-3-yl)methyl]acetamide
Formula:C15 H16 N4 O2
Formal charge:0
Formula weight:284.313 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H16N4O2/c1-2-18(9-12-7-8-21-11-12)15(20)10-19-14-6-4-3-5-13(14)16-17-19/h3-8,11H,2,9-10H2,1H3
InChIKeyInChI1.03IKYIQYHISJXELQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN(Cc1cocc1)C(=O)Cn2nnc3ccccc23
SMILESCACTVS3.385CCN(Cc1cocc1)C(=O)Cn2nnc3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7CCN(Cc1ccoc1)C(=O)Cn2c3ccccc3nn2
SMILESOpenEye OEToolkits2.0.7CCN(Cc1ccoc1)C(=O)Cn2c3ccccc3nn2

218853

PDB entries from 2024-04-24

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