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YHY

Summary
Name:N-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1H-indole-2-carboxamide
Formula:C23 H27 F N4 O
Formal charge:0
Formula weight:394.485 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-{3-[4-(dimethylamino)piperidin-1-yl]phenyl}-4-fluoro-7-methyl-1H-indole-2-carboxamide
OpenEye OEToolkits2.0.7~{N}-[3-[4-(dimethylamino)piperidin-1-yl]phenyl]-4-fluoranyl-7-methyl-1~{H}-indole-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1ccc(C)c2[NH]c(cc12)C(=O)Nc1cc(ccc1)N1CCC(CC1)N(C)C
InChIInChI1.03InChI=1S/C23H27FN4O/c1-15-7-8-20(24)19-14-21(26-22(15)19)23(29)25-16-5-4-6-18(13-16)28-11-9-17(10-12-28)27(2)3/h4-8,13-14,17,26H,9-12H2,1-3H3,(H,25,29)
InChIKeyInChI1.03GBIAQCRLFDZGOQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)C1CCN(CC1)c2cccc(NC(=O)c3[nH]c4c(C)ccc(F)c4c3)c2
SMILESCACTVS3.385CN(C)C1CCN(CC1)c2cccc(NC(=O)c3[nH]c4c(C)ccc(F)c4c3)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(c2c1[nH]c(c2)C(=O)Nc3cccc(c3)N4CCC(CC4)N(C)C)F
SMILESOpenEye OEToolkits2.0.7Cc1ccc(c2c1[nH]c(c2)C(=O)Nc3cccc(c3)N4CCC(CC4)N(C)C)F

222415

数据于2024-07-10公开中

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