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2TT

Summary
Name:2-chloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
Formula:C16 H14 Cl N3 O2
Formal charge:0
Formula weight:315.754 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-chloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide
OpenEye OEToolkits1.7.62-chloranyl-N-[2-(cyclopropylcarbonylamino)pyridin-4-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1nccc(c1)NC(=O)c2ccccc2Cl)C3CC3
InChIInChI1.03InChI=1S/C16H14ClN3O2/c17-13-4-2-1-3-12(13)16(22)19-11-7-8-18-14(9-11)20-15(21)10-5-6-10/h1-4,7-10H,5-6H2,(H2,18,19,20,21,22)
InChIKeyInChI1.03BZYFIAMMQPKLOE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccccc1C(=O)Nc2ccnc(NC(=O)C3CC3)c2
SMILESCACTVS3.385Clc1ccccc1C(=O)Nc2ccnc(NC(=O)C3CC3)c2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)C(=O)Nc2ccnc(c2)NC(=O)C3CC3)Cl

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数据于2024-07-24公开中

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