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328

Summary
Name:4-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
Formula:C19 H20 N4 O2
Formal charge:0
Formula weight:336.388 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-({4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl}carbonyl)benzonitrile
OpenEye OEToolkits1.5.04-[4-[(4-methoxypyridin-2-yl)amino]piperidin-1-yl]carbonylbenzonitrile

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1ccc(C#N)cc1)N3CCC(Nc2nccc(OC)c2)CC3
SMILES_CANONICALCACTVS3.341COc1ccnc(NC2CCN(CC2)C(=O)c3ccc(cc3)C#N)c1
SMILESCACTVS3.341COc1ccnc(NC2CCN(CC2)C(=O)c3ccc(cc3)C#N)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N
SMILESOpenEye OEToolkits1.5.0COc1ccnc(c1)NC2CCN(CC2)C(=O)c3ccc(cc3)C#N
InChIInChI1.03InChI=1S/C19H20N4O2/c1-25-17-6-9-21-18(12-17)22-16-7-10-23(11-8-16)19(24)15-4-2-14(13-20)3-5-15/h2-6,9,12,16H,7-8,10-11H2,1H3,(H,21,22)
InChIKeyInChI1.03SZUVGMCKKLJAFX-UHFFFAOYSA-N

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건을2024-08-07부터공개중

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