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OVF

Summary
Name:2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide
Formula:C23 H22 Cl N5 O
Formal charge:0
Formula weight:419.907 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide
OpenEye OEToolkits2.0.72-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(dimethylamino)phenyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C)c1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc21
InChIInChI1.06InChI=1S/C23H22ClN5O/c1-27(2)19-10-12-20(13-11-19)28(15-17-6-5-7-18(24)14-17)23(30)16-29-22-9-4-3-8-21(22)25-26-29/h3-14H,15-16H2,1-2H3
InChIKeyInChI1.06DJHGLSHYLFLFFG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)c1ccc(cc1)N(Cc2cccc(Cl)c2)C(=O)Cn3nnc4ccccc34
SMILESCACTVS3.385CN(C)c1ccc(cc1)N(Cc2cccc(Cl)c2)C(=O)Cn3nnc4ccccc34
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3
SMILESOpenEye OEToolkits2.0.7CN(C)c1ccc(cc1)N(Cc2cccc(c2)Cl)C(=O)Cn3c4ccccc4nn3

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PDB entries from 2024-07-24

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