C4K

~{N}-(1,3-benzodioxol-5-yl)-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide

Created: 2017-11-11
Last modified:  2018-05-30

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Chemical Details

Formal Charge0
Atom Count52
Chiral Atom Count0
Bond Count56
Aromatic Bond Count22
2D diagram of C4K
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Chemical Component Summary

Name~{N}-(1,3-benzodioxol-5-yl)-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-(1,3-benzodioxol-5-yl)-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide
FormulaC24 H21 N3 O4
Molecular Weight415.441
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c4ccc5OCOc5c4
SMILESOpenEye OEToolkits2.0.6Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc5c(c4)OCO5
Canonical SMILESCACTVS3.385 CN(C(=O)c1cc2c(Cc3cccc(C)c3)n[nH]c2cc1O)c4ccc5OCOc5c4
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1cccc(c1)Cc2c3cc(c(cc3[nH]n2)O)C(=O)N(C)c4ccc5c(c4)OCO5
InChIInChI1.03 InChI=1S/C24H21N3O4/c1-14-4-3-5-15(8-14)9-19-17-11-18(21(28)12-20(17)26-25-19)24(29)27(2)16-6-7-22-23(10-16)31-13-30-22/h3-8,10-12,28H,9,13H2,1-2H3,(H,25,26)
InChIKeyInChI1.03 YXZVBNOPBJFEOP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3966607
PubChem 137631322, 135567433
ChEMBL CHEMBL3966607