HOJ

(5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide

Created: 2018-07-16
Last modified:  2019-06-12

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Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count1
Bond Count64
Aromatic Bond Count18
2D diagram of HOJ
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Chemical Component Summary

Name(5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
Systematic Name (OpenEye OEToolkits)(5~{R})-6-ethanoyl-2-methoxy-~{N}-[4-[(2-methoxyphenyl)methoxy]phenyl]-7,8-dihydro-5~{H}-1,6-naphthyridine-5-carboxamide
FormulaC26 H27 N3 O5
Molecular Weight461.51
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01n3c(ccc4C(C(Nc1ccc(cc1)OCc2ccccc2OC)=O)N(CCc34)C(C)=O)OC
SMILESCACTVS3.385COc1ccc2[CH](N(CCc2n1)C(C)=O)C(=O)Nc3ccc(OCc4ccccc4OC)cc3
SMILESOpenEye OEToolkits2.0.6CC(=O)N1CCc2c(ccc(n2)OC)C1C(=O)Nc3ccc(cc3)OCc4ccccc4OC
Canonical SMILESCACTVS3.385 COc1ccc2[C@@H](N(CCc2n1)C(C)=O)C(=O)Nc3ccc(OCc4ccccc4OC)cc3
Canonical SMILESOpenEye OEToolkits2.0.6 CC(=O)N1CCc2c(ccc(n2)OC)[C@@H]1C(=O)Nc3ccc(cc3)OCc4ccccc4OC
InChIInChI1.03 InChI=1S/C26H27N3O5/c1-17(30)29-15-14-22-21(12-13-24(28-22)33-3)25(29)26(31)27-19-8-10-20(11-9-19)34-16-18-6-4-5-7-23(18)32-2/h4-13,25H,14-16H2,1-3H3,(H,27,31)/t25-/m1/s1
InChIKeyInChI1.03 RNCVXSNHCXEILI-RUZDIDTESA-N

Related Resource References

Resource NameReference
PubChem 138393322