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S52

Summary
Name:2-phenoxy-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole
Synonyms:(2-Phenoxy-1-phenyl-1H-indol-3-yl)-piperazin-1-yl-methanone
Formula:C25 H23 N3 O2
Formal charge:0
Formula weight:397.469 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2-phenoxy-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone
OpenEye OEToolkits1.7.0(2-phenoxy-1-phenyl-indol-3-yl)-piperazin-1-yl-methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c4c1ccccc1n(c2ccccc2)c4Oc3ccccc3)N5CCNCC5
SMILES_CANONICALCACTVS3.370O=C(N1CCNCC1)c2c(Oc3ccccc3)n(c4ccccc4)c5ccccc25
SMILESCACTVS3.370O=C(N1CCNCC1)c2c(Oc3ccccc3)n(c4ccccc4)c5ccccc25
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)n2c3ccccc3c(c2Oc4ccccc4)C(=O)N5CCNCC5
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)n2c3ccccc3c(c2Oc4ccccc4)C(=O)N5CCNCC5
InChIInChI1.03InChI=1S/C25H23N3O2/c29-24(27-17-15-26-16-18-27)23-21-13-7-8-14-22(21)28(19-9-3-1-4-10-19)25(23)30-20-11-5-2-6-12-20/h1-14,26H,15-18H2
InChIKeyInChI1.03PAQQZWUEZAUGRI-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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