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NKU

Summary
Name:2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
Formula:C16 H15 Cl N4 O
Formal charge:0
Formula weight:314.77 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
OpenEye OEToolkits2.0.72-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-methyl-ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)CN(C)C(=O)Cn1nnc2ccccc21
InChIInChI1.06InChI=1S/C16H15ClN4O/c1-20(10-12-5-4-6-13(17)9-12)16(22)11-21-15-8-3-2-7-14(15)18-19-21/h2-9H,10-11H2,1H3
InChIKeyInChI1.06HSYVELSOLBWEKK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(Cc1cccc(Cl)c1)C(=O)Cn2nnc3ccccc23
SMILESCACTVS3.385CN(Cc1cccc(Cl)c1)C(=O)Cn2nnc3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(Cc1cccc(c1)Cl)C(=O)Cn2c3ccccc3nn2
SMILESOpenEye OEToolkits2.0.7CN(Cc1cccc(c1)Cl)C(=O)Cn2c3ccccc3nn2

218853

PDB entries from 2024-04-24

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