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SummaryGeometryRelated PDB entries

F4P

Summary
Name:1-[bis(4-fluorophenyl)methyl]-4-(1H-1,2,4-triazol-1-ylcarbonyl)piperazine
Formula:C20 H19 F2 N5 O
Formal charge:0
Formula weight:383.395 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}(1H-1,2,4-triazol-1-yl)methanone
OpenEye OEToolkits1.6.1[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1,2,4-triazol-1-yl)methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(N3CCN(C(c1ccc(F)cc1)c2ccc(F)cc2)CC3)n4ncnc4
SMILES_CANONICALCACTVS3.352Fc1ccc(cc1)C(N2CCN(CC2)C(=O)n3cncn3)c4ccc(F)cc4
SMILESCACTVS3.352Fc1ccc(cc1)C(N2CCN(CC2)C(=O)n3cncn3)c4ccc(F)cc4
SMILES_CANONICALOpenEye OEToolkits1.7.0c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC3)C(=O)n4cncn4)F
SMILESOpenEye OEToolkits1.7.0c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC3)C(=O)n4cncn4)F
InChIInChI1.03InChI=1S/C20H19F2N5O/c21-17-5-1-15(2-6-17)19(16-3-7-18(22)8-4-16)25-9-11-26(12-10-25)20(28)27-14-23-13-24-27/h1-8,13-14,19H,9-12H2
InChIKeyInChI1.03UIOVHJYJUUSVIG-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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