87T

N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide

Created:	2015-02-27
Last modified:	2015-04-22

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1 entries where 87T is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	21

2D diagram of 87T

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Chemical Component Summary
Name	N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide
Systematic Name (OpenEye OEToolkits)	2-azanyl-N-[4-[[3-(1-methylpyrazol-4-yl)-1H-indol-5-yl]oxy]phenyl]ethanamide
Formula	C₂₀ H₁₉ N₅ O₂
Molecular Weight	361.397
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc4ccc(Oc2ccc3ncc(c1cn(nc1)C)c3c2)cc4)CN
SMILES	CACTVS	3.385	Cn1cc(cn1)c2c[nH]c3ccc(Oc4ccc(NC(=O)CN)cc4)cc23
SMILES	OpenEye OEToolkits	1.7.6	Cn1cc(cn1)c2c[nH]c3c2cc(cc3)Oc4ccc(cc4)NC(=O)CN
Canonical SMILES	CACTVS	3.385	Cn1cc(cn1)c2c[nH]c3ccc(Oc4ccc(NC(=O)CN)cc4)cc23
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cn1cc(cn1)c2c[nH]c3c2cc(cc3)Oc4ccc(cc4)NC(=O)CN
InChI	InChI	1.03	InChI=1S/C20H19N5O2/c1-25-12-13(10-23-25)18-11-22-19-7-6-16(8-17(18)19)27-15-4-2-14(3-5-15)24-20(26)9-21/h2-8,10-12,22H,9,21H2,1H3,(H,24,26)
InChIKey	InChI	1.03	HGVGFSWIDYRBBA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	91668555

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