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ILS

Summary
Name:4-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
Formula:C19 H22 N6 O2
Formal charge:0
Formula weight:366.417 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(azetidine-1-carbonyl)-1-methyl-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
OpenEye OEToolkits2.0.74-(azetidin-1-ylcarbonyl)-2-methyl-~{N}-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1cnn(C)c1C(=O)NCCc1nc2ccccc2n1C)N1CCC1
InChIInChI1.03InChI=1S/C19H22N6O2/c1-23-15-7-4-3-6-14(15)22-16(23)8-9-20-18(26)17-13(12-21-24(17)2)19(27)25-10-5-11-25/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,26)
InChIKeyInChI1.03RDRUHVXSVRSDJK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc3nc4ccccc4n3C
SMILESCACTVS3.385Cn1ncc(C(=O)N2CCC2)c1C(=O)NCCc3nc4ccccc4n3C
SMILES_CANONICALOpenEye OEToolkits2.0.7Cn1c2ccccc2nc1CCNC(=O)c3c(cnn3C)C(=O)N4CCC4
SMILESOpenEye OEToolkits2.0.7Cn1c2ccccc2nc1CCNC(=O)c3c(cnn3C)C(=O)N4CCC4

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数据于2024-07-17公开中

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