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P98

Summary
Name:2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline
Formula:C26 H23 N3 O
Formal charge:0
Formula weight:393.48 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline
OpenEye OEToolkits1.7.62-[(3-phenyl-2-propan-2-yl-benzimidazol-5-yl)oxymethyl]quinoline

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n4c3ccc(OCc1nc2c(cc1)cccc2)cc3n(c4C(C)C)c5ccccc5
InChIInChI1.03InChI=1S/C26H23N3O/c1-18(2)26-28-24-15-14-22(16-25(24)29(26)21-9-4-3-5-10-21)30-17-20-13-12-19-8-6-7-11-23(19)27-20/h3-16,18H,17H2,1-2H3
InChIKeyInChI1.03DUSPRZSUFQRSKK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1c5ccccc5
SMILESCACTVS3.385CC(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2n1c5ccccc5
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4
SMILESOpenEye OEToolkits1.7.6CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5ccccc5n4

224931

数据于2024-09-11公开中

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