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S51

Summary
Name:2-benzyl-1-phenyl-3-(piperazin-1-ylcarbonyl)-1H-indole
Synonyms:(2-Benzyl-1-phenyl-1H-indol-3-yl)-piperazin-1-yl-methanone
Formula:C26 H25 N3 O
Formal charge:0
Formula weight:395.496 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2-benzyl-1-phenyl-1H-indol-3-yl)(piperazin-1-yl)methanone
OpenEye OEToolkits1.7.0[1-phenyl-2-(phenylmethyl)indol-3-yl]-piperazin-1-yl-methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c3c1ccccc1n(c2ccccc2)c3Cc4ccccc4)N5CCNCC5
SMILES_CANONICALCACTVS3.370O=C(N1CCNCC1)c2c(Cc3ccccc3)n(c4ccccc4)c5ccccc25
SMILESCACTVS3.370O=C(N1CCNCC1)c2c(Cc3ccccc3)n(c4ccccc4)c5ccccc25
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)Cc2c(c3ccccc3n2c4ccccc4)C(=O)N5CCNCC5
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)Cc2c(c3ccccc3n2c4ccccc4)C(=O)N5CCNCC5
InChIInChI1.03InChI=1S/C26H25N3O/c30-26(28-17-15-27-16-18-28)25-22-13-7-8-14-23(22)29(21-11-5-2-6-12-21)24(25)19-20-9-3-1-4-10-20/h1-14,27H,15-19H2
InChIKeyInChI1.03FYDPGAJRQXSCCK-UHFFFAOYSA-N

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PDB entries from 2024-07-17

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