70Z

~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide

Created: 2016-08-09
Last modified:  2017-11-29

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Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count0
Bond Count68
Aromatic Bond Count16
2D diagram of 70Z
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Chemical Component Summary

Name~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide
Systematic Name (OpenEye OEToolkits)~{N}3-butyl-~{N}3,~{N}5-dimethyl-~{N}5-(4-morpholin-4-ylphenyl)-6-oxidanyl-2~{H}-indazole-3,5-dicarboxamide
FormulaC25 H31 N5 O4
Molecular Weight465.545
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCCCN(C)C(=O)c1[nH]nc2cc(O)c(cc12)C(=O)N(C)c3ccc(cc3)N4CCOCC4
SMILESOpenEye OEToolkits2.0.5CCCCN(C)C(=O)c1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)N4CCOCC4
Canonical SMILESCACTVS3.385 CCCCN(C)C(=O)c1[nH]nc2cc(O)c(cc12)C(=O)N(C)c3ccc(cc3)N4CCOCC4
Canonical SMILESOpenEye OEToolkits2.0.5 CCCCN(C)C(=O)c1c2cc(c(cc2n[nH]1)O)C(=O)N(C)c3ccc(cc3)N4CCOCC4
InChIInChI1.03 InChI=1S/C25H31N5O4/c1-4-5-10-28(2)25(33)23-19-15-20(22(31)16-21(19)26-27-23)24(32)29(3)17-6-8-18(9-7-17)30-11-13-34-14-12-30/h6-9,15-16,31H,4-5,10-14H2,1-3H3,(H,26,27)
InChIKeyInChI1.03 RAYWRIGSWUEWLN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3906698
PubChem 135567215
ChEMBL CHEMBL3906698