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SummaryGeometryRelated PDB entries

SNT

Summary
Name:(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine
Synonyms:SANT-1
Formula:C23 H27 N5
Formal charge:0
Formula weight:373.494 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(E)-N-(4-benzylpiperazin-1-yl)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanimine
OpenEye OEToolkits1.7.61-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[4-(phenylmethyl)piperazin-1-yl]methanimine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(=C/c1c(n(nc1C)c2ccccc2)C)\N3CCN(CC3)Cc4ccccc4
InChIInChI1.03InChI=1S/C23H27N5/c1-19-23(20(2)28(25-19)22-11-7-4-8-12-22)17-24-27-15-13-26(14-16-27)18-21-9-5-3-6-10-21/h3-12,17H,13-16,18H2,1-2H3/b24-17+
InChIKeyInChI1.03FOORCIAZMIWALX-JJIBRWJFSA-N
SMILES_CANONICALCACTVS3.385Cc1nn(c2ccccc2)c(C)c1\C=N\N3CCN(CC3)Cc4ccccc4
SMILESCACTVS3.385Cc1nn(c2ccccc2)c(C)c1C=NN3CCN(CC3)Cc4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1c(c(n(n1)c2ccccc2)C)/C=N/N3CCN(CC3)Cc4ccccc4
SMILESOpenEye OEToolkits1.7.6Cc1c(c(n(n1)c2ccccc2)C)C=NN3CCN(CC3)Cc4ccccc4

223532

PDB entries from 2024-08-07

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