QWS

4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide

Created:2013-08-09
Last modified:  2014-04-02

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count0
Bond Count47
Aromatic Bond Count16
2D diagram of QWS

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Chemical Component Summary

Name4-(carbamoylamino)-1-[7-(propan-2-yloxy)naphthalen-1-yl]-1H-pyrazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)4-(aminocarbonylamino)-1-(7-propan-2-yloxynaphthalen-1-yl)pyrazole-3-carboxamide
FormulaC18 H19 N5 O3
Molecular Weight353.375
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OC(C)C)cc3
SMILESCACTVS3.385CC(C)Oc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1
SMILESOpenEye OEToolkits1.7.6CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N
Canonical SMILESCACTVS3.385 CC(C)Oc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1
Canonical SMILESOpenEye OEToolkits1.7.6 CC(C)Oc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N
InChIInChI1.03 InChI=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)
InChIKeyInChI1.03 GYKHVLWAQGEZTM-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 73386655