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74Y

Summary
Name:(azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone
Formula:C18 H23 N3 O2
Formal charge:0
Formula weight:313.394 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(azepan-1-yl)(2-{[(furan-2-yl)methyl]amino}-6-methylpyridin-3-yl)methanone
OpenEye OEToolkits2.0.5azepan-1-yl-[2-(furan-2-ylmethylamino)-6-methyl-pyridin-3-yl]methanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2c(c(NCc1ccco1)nc(C)c2)C(=O)N3CCCCCC3
InChIInChI1.03InChI=1S/C18H23N3O2/c1-14-8-9-16(18(22)21-10-4-2-3-5-11-21)17(20-14)19-13-15-7-6-12-23-15/h6-9,12H,2-5,10-11,13H2,1H3,(H,19,20)
InChIKeyInChI1.03JCTPWJNVLSRFOU-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(C(=O)N2CCCCCC2)c(NCc3occc3)n1
SMILESCACTVS3.385Cc1ccc(C(=O)N2CCCCCC2)c(NCc3occc3)n1
SMILES_CANONICALOpenEye OEToolkits2.0.5Cc1ccc(c(n1)NCc2ccco2)C(=O)N3CCCCCC3
SMILESOpenEye OEToolkits2.0.5Cc1ccc(c(n1)NCc2ccco2)C(=O)N3CCCCCC3

222415

數據於2024-07-10公開中

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