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SummaryGeometryRelated PDB entries

2WL

Summary
Name:(1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone
Formula:C21 H21 Cl N4 O
Formal charge:0
Formula weight:380.871 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1-benzyl-1H-imidazol-4-yl)[4-(2-chlorophenyl)piperazin-1-yl]methanone
OpenEye OEToolkits1.7.6[4-(2-chlorophenyl)piperazin-1-yl]-[1-(phenylmethyl)imidazol-4-yl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1ncn(c1)Cc2ccccc2)N4CCN(c3ccccc3Cl)CC4
InChIInChI1.03InChI=1S/C21H21ClN4O/c22-18-8-4-5-9-20(18)25-10-12-26(13-11-25)21(27)19-15-24(16-23-19)14-17-6-2-1-3-7-17/h1-9,15-16H,10-14H2
InChIKeyInChI1.03ITFKVPSANNTLSY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccccc1N2CCN(CC2)C(=O)c3cn(Cc4ccccc4)cn3
SMILESCACTVS3.385Clc1ccccc1N2CCN(CC2)C(=O)c3cn(Cc4ccccc4)cn3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)Cn2cc(nc2)C(=O)N3CCN(CC3)c4ccccc4Cl

218853

PDB entries from 2024-04-24

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