G8K

[2-(1H-indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone

Created:	2018-01-24
Last modified:	2019-07-10

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1 entries where G8K is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	21

2D diagram of G8K

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Chemical Component Summary
Name	[2-(1H-indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone
Systematic Name (OpenEye OEToolkits)	[2-(1~{H}-indol-4-yl)-1~{H}-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
Formula	C₂₁ H₁₉ N₃ O₄
Molecular Weight	377.393
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1c(OC)cc(cc1OC)C(=O)c2cnc(n2)c3c4c(ccc3)ncc4
SMILES	CACTVS	3.385	COc1cc(cc(OC)c1OC)C(=O)c2c[nH]c(n2)c3cccc4[nH]ccc34
SMILES	OpenEye OEToolkits	2.0.6	COc1cc(cc(c1OC)OC)C(=O)c2c[nH]c(n2)c3cccc4c3cc[nH]4
Canonical SMILES	CACTVS	3.385	COc1cc(cc(OC)c1OC)C(=O)c2c[nH]c(n2)c3cccc4[nH]ccc34
Canonical SMILES	OpenEye OEToolkits	2.0.6	COc1cc(cc(c1OC)OC)C(=O)c2c[nH]c(n2)c3cccc4c3cc[nH]4
InChI	InChI	1.03	InChI=1S/C21H19N3O4/c1-26-17-9-12(10-18(27-2)20(17)28-3)19(25)16-11-23-21(24-16)14-5-4-6-15-13(14)7-8-22-15/h4-11,22H,1-3H3,(H,23,24)
InChIKey	InChI	1.03	WDMPGPZDSGODDF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	69038102

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