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QWS

Summary
Name:4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide
Formula:C18 H19 N5 O3
Formal charge:0
Formula weight:353.375 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide
OpenEye OEToolkits1.7.64-(aminocarbonylamino)-1-(7-propan-2-yloxynaphthalen-1-yl)pyrazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OC(C)C)cc3
InChIInChI1.03InChI=1S/C18H19N5O3/c1-10(2)26-12-7-6-11-4-3-5-15(13(11)8-12)23-9-14(21-18(20)25)16(22-23)17(19)24/h3-10H,1-2H3,(H2,19,24)(H3,20,21,25)
InChIKeyInChI1.03GYKHVLWAQGEZTM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)Oc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1
SMILESCACTVS3.385CC(C)Oc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.7.6CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N
SMILESOpenEye OEToolkits1.7.6CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N

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數據於2024-07-10公開中

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