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1YZ

Summary
Name:4-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
Formula:C17 H17 N5 O3
Formal charge:0
Formula weight:339.349 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(carbamoylamino)-1-(7-ethoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
OpenEye OEToolkits1.7.64-(aminocarbonylamino)-1-(7-ethoxynaphthalen-1-yl)pyrazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OCC)cc3
InChIInChI1.03InChI=1S/C17H17N5O3/c1-2-25-11-7-6-10-4-3-5-14(12(10)8-11)22-9-13(20-17(19)24)15(21-22)16(18)23/h3-9H,2H2,1H3,(H2,18,23)(H3,19,20,24)
InChIKeyInChI1.03JGGFBQCPFJAHOH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1
SMILESCACTVS3.385CCOc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.7.6CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N
SMILESOpenEye OEToolkits1.7.6CCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N

218853

PDB entries from 2024-04-24

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