W9L

1-ethyl-3-naphthalen-1-ylurea

Created:2013-09-09
Last modified:  2014-10-01

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count31
Aromatic Bond Count11
2D diagram of W9L

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Chemical Component Summary

Name1-ethyl-3-naphthalen-1-ylurea
Systematic Name (OpenEye OEToolkits)1-ethyl-3-naphthalen-1-yl-urea
FormulaC13 H14 N2 O
Molecular Weight214.263
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCC)Nc2cccc1ccccc12
SMILESCACTVS3.385CCNC(=O)Nc1cccc2ccccc12
SMILESOpenEye OEToolkits1.7.6CCNC(=O)Nc1cccc2c1cccc2
Canonical SMILESCACTVS3.385 CCNC(=O)Nc1cccc2ccccc12
Canonical SMILESOpenEye OEToolkits1.7.6 CCNC(=O)Nc1cccc2c1cccc2
InChIInChI1.03 InChI=1S/C13H14N2O/c1-2-14-13(16)15-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H2,14,15,16)
InChIKeyInChI1.03 SMNYGFHWZXVHCR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 5129204