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1E0

Summary
Name:4-(carbamoylamino)-1-(7-propoxynaphthalen-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-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide
OpenEye OEToolkits1.7.64-(aminocarbonylamino)-1-(7-propoxynaphthalen-1-yl)pyrazole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OCCC)cc3
InChIInChI1.03InChI=1S/C18H19N5O3/c1-2-8-26-12-7-6-11-4-3-5-15(13(11)9-12)23-10-14(21-18(20)25)16(22-23)17(19)24/h3-7,9-10H,2,8H2,1H3,(H2,19,24)(H3,20,21,25)
InChIKeyInChI1.03HDLCJAZFKRTKGX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCCOc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1
SMILESCACTVS3.370CCCOc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N
SMILESOpenEye OEToolkits1.7.6CCCOc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N

223532

PDB entries from 2024-08-07

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